CID 2736464

2707-23-5

Structural Information

Molecular Formula

C₉H₇ClF₃NO

SMILES

C1=CC(=CC=C1C(F)(F)F)NC(=O)CCl

InChI

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

InChIKey

BHXKHTOSJBCCMU-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 81
Patents: 237.01683 Da
Monoisotopic Mass: 3.1
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	143.5
[M+Na]+	260.00605	152.5
[M-H]-	236.00955	143.4
[M+NH4]+	255.05065	161.9
[M+K]+	275.97999	148.0
[M+H-H2O]+	220.01409	136.2
[M+HCOO]-	282.01503	159.3
[M+CH3COO]-	296.03068	190.3
[M+Na-2H]-	257.99150	148.5
[M]+	237.01628	141.1
[M]-	237.01738	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe