PubChemLite - 2642577-33-9 (C24H18ClF7N2O)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)F)C2=CC(=NC=C2NC(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C24H18ClF7N2O/c1-12-6-16(26)4-5-17(12)18-10-20(25)33-11-19(18)34-21(35)22(2,3)13-7-14(23(27,28)29)9-15(8-13)24(30,31)32/h4-11H,1-3H3,(H,34,35)

InChIKey

JPYZMPMFCOBZOP-UHFFFAOYSA-N

Compound name

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-chloro-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-methylpropanamide

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]+	519.10688	217.8
[M+Na]+	541.08882	228.3
[M-H]-	517.09232	218.0
[M+NH4]+	536.13342	223.6
[M+K]+	557.06276	219.2
[M+H-H2O]+	501.09686	202.7
[M+HCOO]-	563.09780	222.1
[M+CH3COO]-	577.11345	245.6
[M+Na-2H]-	539.07427	216.2
[M]+	518.09905	212.7
[M]-	518.10015	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.10688

217.8

[M+Na]+

541.08882

228.3

[M-H]-

517.09232

218.0

[M+NH4]+

536.13342

223.6

[M+K]+

557.06276

219.2

[M+H-H2O]+

501.09686

202.7

[M+HCOO]-

563.09780

222.1

[M+CH3COO]-

577.11345

245.6

[M+Na-2H]-

539.07427

216.2

[M]+

518.09905

212.7

[M]-

518.10015

212.7

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

2642577-33-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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