CID 243580

N-[4-chloro-3-(trifluoromethyl)phenyl]formamide

Structural Information

Molecular Formula

C₈H₅ClF₃NO

SMILES

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

InChI

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

InChIKey

JCGSMHPPPSDAKF-UHFFFAOYSA-N

Compound name

N-[4-chloro-3-(trifluoromethyl)phenyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 223.00117 Da
Monoisotopic Mass: 3.3
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]+	224.008446	138.5
[M+Na]+	245.990388	149.0
[M-H]-	221.993894	138.8
[M+NH4]+	241.034993	157.8
[M+K]+	261.964328	144.3
[M+H-H2O]+	205.998430	131.5
[M+HCOO]-	267.999371	155.5
[M+CH3COO]-	282.015021	188.3
[M+Na-2H]-	243.975836	144.6
[M]+	223.00062142	136.7
[M]-	223.00171858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe