CID 50989405

2,2-difluoroethanesulfonyl chloride

Structural Information

Molecular Formula

C₂H₃ClF₂O₂S

SMILES

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

InChI

InChI=1S/C2H3ClF2O2S/c3-8(6,7)1-2(4)5/h2H,1H2

InChIKey

WTNIHKYYNJGJRA-UHFFFAOYSA-N

Compound name

2,2-difluoroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 163.95103 Da
Monoisotopic Mass: 1.2
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]+	164.95831	119.9
[M+Na]+	186.94025	129.9
[M-H]-	162.94375	118.6
[M+NH4]+	181.98485	141.9
[M+K]+	202.91419	127.4
[M+H-H2O]+	146.94829	115.5
[M+HCOO]-	208.94923	131.3
[M+CH3COO]-	222.96488	171.7
[M+Na-2H]-	184.92570	123.6
[M]+	163.95048	121.4
[M]-	163.95158	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe