CID 2737548

176225-09-5

Structural Information

Molecular Formula

C₇H₃ClF₄O₂S

SMILES

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

InChI

InChI=1S/C7H3ClF4O2S/c8-15(13,14)6-2-1-4(9)3-5(6)7(10,11)12/h1-3H

InChIKey

IGMYEVQPXWKFQF-UHFFFAOYSA-N

Compound name

4-fluoro-2-(trifluoromethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 261.94785 Da
Monoisotopic Mass: 2.9
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]+	262.95513	140.5
[M+Na]+	284.93707	152.5
[M-H]-	260.94057	140.2
[M+NH4]+	279.98167	158.9
[M+K]+	300.91101	147.3
[M+H-H2O]+	244.94511	133.3
[M+HCOO]-	306.94605	149.4
[M+CH3COO]-	320.96170	188.8
[M+Na-2H]-	282.92252	144.1
[M]+	261.94730	140.2
[M]-	261.94840	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe