CID 137942237

2260936-97-6

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
C1CC(C1)C2CC(C2)CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO2S/c10-13(11,12)6-7-4-9(5-7)8-2-1-3-8/h7-9H,1-6H2
InChIKey
NAHMPPZXHQGTQU-UHFFFAOYSA-N
Compound name
(3-cyclobutylcyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04813 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 125.3
[M+Na]+ 245.03735 129.2
[M-H]- 221.04085 130.7
[M+NH4]+ 240.08195 131.5
[M+K]+ 261.01129 131.5
[M+H-H2O]+ 205.04539 111.2
[M+HCOO]- 267.04633 134.3
[M+CH3COO]- 281.06198 195.9
[M+Na-2H]- 243.02280 127.7
[M]+ 222.04758 143.0
[M]- 222.04868 143.0
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.