CID 2736911

2,5-difluorobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₃ClF₂O₂S

SMILES

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

InChI

InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-3-4(8)1-2-5(6)9/h1-3H

InChIKey

CELLJWUVMKEJDY-UHFFFAOYSA-N

Compound name

2,5-difluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 541
Patents: 211.95103 Da
Monoisotopic Mass: 2.4
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]+	212.95831	138.2
[M+Na]+	234.94025	149.9
[M+NH4]+	229.98485	145.6
[M+K]+	250.91419	142.6
[M-H]-	210.94375	136.6
[M+Na-2H]-	232.92570	143.3
[M]+	211.95048	140.0
[M]-	211.95158	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe