PubChemLite - 2-{4-chloro-2-[1-(fluoro-trifluoromethyl-phenyl)-methanoyl]-phenoxy}-n-(6-methyl-3h-benzimidazol-5-yl)-acetamide (C24H16ClF4N3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1NC(=O)COC3=C(C=C(C=C3)Cl)C(=O)C4=CC(=CC(=C4)F)C(F)(F)F)N=CN2

InChI

InChI=1S/C24H16ClF4N3O3/c1-12-4-19-20(31-11-30-19)9-18(12)32-22(33)10-35-21-3-2-15(25)8-17(21)23(34)13-5-14(24(27,28)29)7-16(26)6-13/h2-9,11H,10H2,1H3,(H,30,31)(H,32,33)

InChIKey

UZYHTZCWEVJZHV-UHFFFAOYSA-N

Compound name

2-[4-chloro-2-[3-fluoro-5-(trifluoromethyl)benzoyl]phenoxy]-N-(6-methyl-1H-benzimidazol-5-yl)acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	506.08891	214.3
[M+Na]+	528.07085	224.8
[M-H]-	504.07435	217.3
[M+NH4]+	523.11545	221.0
[M+K]+	544.04479	215.9
[M+H-H2O]+	488.07889	201.4
[M+HCOO]-	550.07983	223.7
[M+CH3COO]-	564.09548	239.6
[M+Na-2H]-	526.05630	212.9
[M]+	505.08108	215.6
[M]-	505.08218	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

506.08891

214.3

[M+Na]+

528.07085

224.8

[M-H]-

504.07435

217.3

[M+NH4]+

523.11545

221.0

[M+K]+

544.04479

215.9

[M+H-H2O]+

488.07889

201.4

[M+HCOO]-

550.07983

223.7

[M+CH3COO]-

564.09548

239.6

[M+Na-2H]-

526.05630

212.9

[M]+

505.08108

215.6

[M]-

505.08218

215.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-{4-chloro-2-[1-(fluoro-trifluoromethyl-phenyl)-methanoyl]-phenoxy}-n-(6-methyl-3h-benzimidazol-5-yl)-acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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