CID 122163794

1989672-13-0

Structural Information

Molecular Formula

C₅H₇ClF₂O₂S

SMILES

C1C(C1(F)F)CCS(=O)(=O)Cl

InChI

InChI=1S/C5H7ClF2O2S/c6-11(9,10)2-1-4-3-5(4,7)8/h4H,1-3H2

InChIKey

VASICXQHFFQDNC-UHFFFAOYSA-N

Compound name

2-(2,2-difluorocyclopropyl)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 203.98233 Da
Monoisotopic Mass: 1.8
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]+	204.98961	126.5
[M+Na]+	226.97155	137.9
[M-H]-	202.97505	129.1
[M+NH4]+	222.01615	143.9
[M+K]+	242.94549	134.3
[M+H-H2O]+	186.97959	121.6
[M+HCOO]-	248.98053	138.1
[M+CH3COO]-	262.99618	182.4
[M+Na-2H]-	224.95700	131.5
[M]+	203.98178	131.5
[M]-	203.98288	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.