CID 23512847

3-chloro-4-(trifluoromethyl)benzamide

Structural Information

Molecular Formula

C₈H₅ClF₃NO

SMILES

C1=CC(=C(C=C1C(=O)N)Cl)C(F)(F)F

InChI

InChI=1S/C8H5ClF3NO/c9-6-3-4(7(13)14)1-2-5(6)8(10,11)12/h1-3H,(H2,13,14)

InChIKey

CESRVVBRBOSGJG-UHFFFAOYSA-N

Compound name

3-chloro-4-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 223.00117 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

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]+	224.00845	142.7
[M+Na]+	245.99039	151.9
[M+NH4]+	241.03499	148.4
[M+K]+	261.96433	147.3
[M-H]-	221.99389	139.8
[M+Na-2H]-	243.97584	146.8
[M]+	223.00062	143.1
[M]-	223.00172	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe