CID 12589218

3-chlorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H8Cl2O2S
SMILES
CC(CCS(=O)(=O)Cl)Cl
InChI
InChI=1S/C4H8Cl2O2S/c1-4(5)2-3-9(6,7)8/h4H,2-3H2,1H3
InChIKey
CXTHSJPWBHRPRW-UHFFFAOYSA-N
Compound name
3-chlorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

189.9622 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.969476 131.2
[M+Na]+ 212.951418 140.6
[M-H]- 188.954924 132.1
[M+NH4]+ 207.996023 152.7
[M+K]+ 228.925358 136.9
[M+H-H2O]+ 172.959460 129.3
[M+HCOO]- 234.960401 139.1
[M+CH3COO]- 248.976051 177.2
[M+Na-2H]- 210.936866 134.3
[M]+ 189.96165142 136.5
[M]- 189.96274858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe