CID 735801

2-chloro-n-(2,3,4-trifluorophenyl)acetamide

Structural Information

Molecular Formula

C₈H₅ClF₃NO

SMILES

C1=CC(=C(C(=C1NC(=O)CCl)F)F)F

InChI

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

InChIKey

AZIDVVHPGTUFEB-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,3,4-trifluorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 223.00117 Da
Monoisotopic Mass: 2.0
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	141.6
[M+Na]+	245.99039	151.7
[M+NH4]+	241.03499	147.6
[M+K]+	261.96433	146.0
[M-H]-	221.99389	139.5
[M+Na-2H]-	243.97584	146.0
[M]+	223.00062	142.3
[M]-	223.00172	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe