CID 137944475

2287339-47-1

Structural Information

Molecular Formula
C8H15ClO2S
SMILES
CC1(CC(C1)(C)CS(=O)(=O)Cl)C
InChI
InChI=1S/C8H15ClO2S/c1-7(2)4-8(3,5-7)6-12(9,10)11/h4-6H2,1-3H3
InChIKey
DFFFCWWXSZVXNV-UHFFFAOYSA-N
Compound name
(1,3,3-trimethylcyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04813 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05541 134.4
[M+Na]+ 233.03735 142.3
[M-H]- 209.04085 138.5
[M+NH4]+ 228.08195 152.1
[M+K]+ 249.01129 142.0
[M+H-H2O]+ 193.04539 128.3
[M+HCOO]- 255.04633 145.5
[M+CH3COO]- 269.06198 185.3
[M+Na-2H]- 231.02280 139.8
[M]+ 210.04758 147.8
[M]- 210.04868 147.8
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.