CID 84651137

2-fluoropropane-2-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₆ClFO₂S

SMILES

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

InChI

InChI=1S/C3H6ClFO2S/c1-3(2,5)8(4,6)7/h1-2H3

InChIKey

QRCIQJUTXRWICY-UHFFFAOYSA-N

Compound name

2-fluoropropane-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.9761 Da
Monoisotopic Mass: 1.4
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]+	160.98338	123.7
[M+Na]+	182.96532	134.0
[M-H]-	158.96882	124.0
[M+NH4]+	178.00992	146.1
[M+K]+	198.93926	131.5
[M+H-H2O]+	142.97336	120.5
[M+HCOO]-	204.97430	135.3
[M+CH3COO]-	218.98995	171.6
[M+Na-2H]-	180.95077	129.3
[M]+	159.97555	126.9
[M]-	159.97665	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.