CID 737278

3792-04-9

Structural Information

Molecular Formula

C₉H₇ClF₃NO

SMILES

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

InChI

InChI=1S/C9H7ClF3NO/c10-5-8(15)14-7-4-2-1-3-6(7)9(11,12)13/h1-4H,5H2,(H,14,15)

InChIKey

GCSXEMRXTRHXIS-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 237.01683 Da
Monoisotopic Mass: 1.7
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]+	238.02411	146.7
[M+Na]+	260.00605	155.7
[M+NH4]+	255.05065	152.4
[M+K]+	275.97999	150.5
[M-H]-	236.00955	143.9
[M+Na-2H]-	257.99150	151.2
[M]+	237.01628	147.1
[M]-	237.01738	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe