CID 2736869

175205-76-2

Structural Information

Molecular Formula

C₇H₂Cl₃F₃O₂S

SMILES

C1=C(C=C(C(=C1Cl)S(=O)(=O)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C7H2Cl3F3O2S/c8-4-1-3(7(11,12)13)2-5(9)6(4)16(10,14)15/h1-2H

InChIKey

MRGIKDMKHORAMU-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-(trifluoromethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 311.8793 Da
Monoisotopic Mass: 4.1
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]+	312.88658	157.3
[M+Na]+	334.86852	167.4
[M+NH4]+	329.91312	162.8
[M+K]+	350.84246	160.8
[M-H]-	310.87202	153.3
[M+Na-2H]-	332.85397	160.6
[M]+	311.87875	158.6
[M]-	311.87985	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe