CID 2736675

175205-54-6

Structural Information

Molecular Formula

C₇H₃Cl₂F₃O₂S

SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)S(=O)(=O)Cl

InChI

InChI=1S/C7H3Cl2F3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H

InChIKey

NJXDBSSSDPOAFI-UHFFFAOYSA-N

Compound name

2-chloro-4-(trifluoromethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 354
Patents: 277.9183 Da
Monoisotopic Mass: 3.5
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]+	278.92558	152.9
[M+Na]+	300.90752	162.8
[M+NH4]+	295.95212	158.6
[M+K]+	316.88146	156.2
[M-H]-	276.91102	149.1
[M+Na-2H]-	298.89297	156.5
[M]+	277.91775	154.0
[M]-	277.91885	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe