CID 12589216

3-chloro-2-methylpropane-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

189.9622 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96948 131.2
[M+Na]+ 212.95142 140.6
[M-H]- 188.95492 132.1
[M+NH4]+ 207.99602 152.7
[M+K]+ 228.92536 136.9
[M+H-H2O]+ 172.95946 129.3
[M+HCOO]- 234.96040 139.1
[M+CH3COO]- 248.97605 177.2
[M+Na-2H]- 210.93687 134.3
[M]+ 189.96165 136.5
[M]- 189.96275 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