CID 14810943

74426-51-0

Structural Information

Molecular Formula

C₉H₆ClF₃O

SMILES

C1=CC(=CC=C1CC(=O)Cl)C(F)(F)F

InChI

InChI=1S/C9H6ClF3O/c10-8(14)5-6-1-3-7(4-2-6)9(11,12)13/h1-4H,5H2

InChIKey

MLMKUFMLPHQPFO-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethyl)phenyl]acetyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 222.00592 Da
Monoisotopic Mass: 3.4
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]+	223.01320	145.1
[M+Na]+	244.99514	155.3
[M+NH4]+	240.03974	151.3
[M+K]+	260.96908	149.6
[M-H]-	220.99864	142.2
[M+Na-2H]-	242.98059	149.8
[M]+	222.00537	145.8
[M]-	222.00647	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe