PubChemLite - 72319-13-2 (C25H17ClF3N3O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C25H17ClF3N3O2/c1-14-6-8-16(9-7-14)30-24(34)19-12-15-4-2-3-5-18(15)22(23(19)33)32-31-17-10-11-21(26)20(13-17)25(27,28)29/h2-13,33H,1H3,(H,30,34)

InChIKey

QLYFHHQXGTXJFY-UHFFFAOYSA-N

Compound name

4-[[4-chloro-3-(trifluoromethyl)phenyl]diazenyl]-3-hydroxy-N-(4-methylphenyl)naphthalene-2-carboxamide

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]+	484.10341	214.6
[M+Na]+	506.08535	223.8
[M-H]-	482.08885	222.7
[M+NH4]+	501.12995	223.7
[M+K]+	522.05929	216.1
[M+H-H2O]+	466.09339	201.8
[M+HCOO]-	528.09433	230.8
[M+CH3COO]-	542.10998	246.3
[M+Na-2H]-	504.07080	217.2
[M]+	483.09558	215.5
[M]-	483.09668	215.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.10341

214.6

[M+Na]+

506.08535

223.8

[M-H]-

482.08885

222.7

[M+NH4]+

501.12995

223.7

[M+K]+

522.05929

216.1

[M+H-H2O]+

466.09339

201.8

[M+HCOO]-

528.09433

230.8

[M+CH3COO]-

542.10998

246.3

[M+Na-2H]-

504.07080

217.2

[M]+

483.09558

215.5

[M]-

483.09668

215.5

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

72319-13-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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