CID 55280037

3-chloroprop-1-ene-2-sulfonyl chloride

Structural Information

Molecular Formula

C₃H₄Cl₂O₂S

SMILES

C=C(CCl)S(=O)(=O)Cl

InChI

InChI=1S/C3H4Cl2O2S/c1-3(2-4)8(5,6)7/h1-2H2

InChIKey

DTRVXXBLQQSDEJ-UHFFFAOYSA-N

Compound name

3-chloroprop-1-ene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 173.93091 Da
Monoisotopic Mass: 1.3
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]+	174.93819	125.8
[M+Na]+	196.92013	135.9
[M-H]-	172.92363	126.9
[M+NH4]+	191.96473	147.8
[M+K]+	212.89407	131.8
[M+H-H2O]+	156.92817	124.2
[M+HCOO]-	218.92911	134.1
[M+CH3COO]-	232.94476	173.3
[M+Na-2H]-	194.90558	129.4
[M]+	173.93036	130.0
[M]-	173.93146	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.