CID 145164

2,4,5-trifluorobenzoyl chloride

Structural Information

Molecular Formula

C₇H₂ClF₃O

SMILES

C1=C(C(=CC(=C1F)F)F)C(=O)Cl

InChI

InChI=1S/C7H2ClF3O/c8-7(12)3-1-5(10)6(11)2-4(3)9/h1-2H

InChIKey

STBGCAUUOPNJBH-UHFFFAOYSA-N

Compound name

2,4,5-trifluorobenzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 632
Patents: 193.97462 Da
Monoisotopic Mass: 2.7
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]+	194.98190	126.9
[M+Na]+	216.96384	139.0
[M-H]-	192.96734	127.7
[M+NH4]+	212.00844	147.8
[M+K]+	232.93778	134.7
[M+H-H2O]+	176.97188	120.5
[M+HCOO]-	238.97282	143.9
[M+CH3COO]-	252.98847	182.8
[M+Na-2H]-	214.94929	131.0
[M]+	193.97407	126.0
[M]-	193.97517	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe