CID 2736913

3,4-difluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₃ClF₂O₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)Cl)F)F

InChI

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

InChIKey

FSGLUBQENACWCC-UHFFFAOYSA-N

Compound name

3,4-difluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1100
Patents: 211.95103 Da
Monoisotopic Mass: 2.3
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	131.1
[M+Na]+	234.94025	143.2
[M-H]-	210.94375	133.5
[M+NH4]+	229.98485	151.7
[M+K]+	250.91419	138.6
[M+H-H2O]+	194.94829	125.7
[M+HCOO]-	256.94923	144.0
[M+CH3COO]-	270.96488	180.4
[M+Na-2H]-	232.92570	135.4
[M]+	211.95048	133.5
[M]-	211.95158	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe