CID 12503843

2-methylpropane-2-sulfonyl chloride

Structural Information

Molecular Formula
C4H9ClO2S
SMILES
CC(C)(C)S(=O)(=O)Cl
InChI
InChI=1S/C4H9ClO2S/c1-4(2,3)8(5,6)7/h1-3H3
InChIKey
WFBUQJSXXDVYFZ-UHFFFAOYSA-N
Compound name
2-methylpropane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

319
Patents

156.00117 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.00845 126.7
[M+Na]+ 178.99039 136.7
[M-H]- 154.99389 128.3
[M+NH4]+ 174.03499 149.5
[M+K]+ 194.96433 134.4
[M+H-H2O]+ 138.99843 124.4
[M+HCOO]- 200.99937 139.1
[M+CH3COO]- 215.01502 171.2
[M+Na-2H]- 176.97584 132.3
[M]+ 156.00062 131.3
[M]- 156.00172 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe