CID 12574632

2,2-dimethylpropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H11ClO2S
SMILES
CC(C)(C)CS(=O)(=O)Cl
InChI
InChI=1S/C5H11ClO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3
InChIKey
RSLHISYPEJMMDT-UHFFFAOYSA-N
Compound name
2,2-dimethylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

170.01683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02411 131.3
[M+Na]+ 193.00605 140.9
[M-H]- 169.00955 132.7
[M+NH4]+ 188.05065 153.5
[M+K]+ 208.97999 138.3
[M+H-H2O]+ 153.01409 128.8
[M+HCOO]- 215.01503 143.4
[M+CH3COO]- 229.03068 174.2
[M+Na-2H]- 190.99150 136.4
[M]+ 170.01628 136.3
[M]- 170.01738 136.3
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