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

146
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 137.4
[M+Na]+ 193.00605 147.7
[M+NH4]+ 188.05065 145.2
[M+K]+ 208.97999 141.2
[M-H]- 169.00955 135.4
[M+Na-2H]- 190.99150 140.1
[M]+ 170.01628 139.0
[M]- 170.01738 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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