CID 2794646

127162-96-3

Structural Information

Molecular Formula

C₈H₆ClF₃O₂S

SMILES

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

InChI

InChI=1S/C8H6ClF3O2S/c9-15(13,14)5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

InChIKey

WIGCBGFBBRJTLS-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)phenyl]methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 257.9729 Da
Monoisotopic Mass: 3.1
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]+	258.98018	153.5
[M+Na]+	280.96212	162.6
[M+NH4]+	276.00672	159.1
[M+K]+	296.93606	156.0
[M-H]-	256.96562	149.6
[M+Na-2H]-	278.94757	157.0
[M]+	257.97235	154.2
[M]-	257.97345	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe