CID 2736671

247170-19-0

Structural Information

Molecular Formula

C₉H₇ClF₃NO

SMILES

CC(=O)NC1=C(C=C(C=C1)C(F)(F)F)Cl

InChI

InChI=1S/C9H7ClF3NO/c1-5(15)14-8-3-2-6(4-7(8)10)9(11,12)13/h2-4H,1H3,(H,14,15)

InChIKey

QRMZQPODCUCPQD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 7
Patents: 237.01683 Da
Monoisotopic Mass: 2.8
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	143.1
[M+Na]+	260.00605	153.1
[M-H]-	236.00955	143.4
[M+NH4]+	255.05065	161.8
[M+K]+	275.97999	148.6
[M+H-H2O]+	220.01409	136.1
[M+HCOO]-	282.01503	158.9
[M+CH3COO]-	296.03068	191.5
[M+Na-2H]-	257.99150	147.5
[M]+	237.01628	141.0
[M]-	237.01738	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe