CID 139026561

2490402-31-6

Structural Information

Molecular Formula
C8H15ClO2S
SMILES
CC(C)(C)C1CC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO2S/c1-8(2,3)6-4-7(5-6)12(9,10)11/h6-7H,4-5H2,1-3H3
InChIKey
UZCBFGQJIZZOBM-UHFFFAOYSA-N
Compound name
3-tert-butylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04813 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05541 136.5
[M+Na]+ 233.03735 143.3
[M-H]- 209.04085 140.2
[M+NH4]+ 228.08195 150.5
[M+K]+ 249.01129 143.2
[M+H-H2O]+ 193.04539 127.8
[M+HCOO]- 255.04633 146.1
[M+CH3COO]- 269.06198 185.7
[M+Na-2H]- 231.02280 139.6
[M]+ 210.04758 148.5
[M]- 210.04868 148.5
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

No patent data available for this compound.