CID 132351244

2138010-79-2

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
C1CC[C@H]2[C@@H](C1)C[C@H]2CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO2S/c10-13(11,12)6-8-5-7-3-1-2-4-9(7)8/h7-9H,1-6H2/t7-,8-,9-/m0/s1
InChIKey
JOGSTKBBPNRPAA-CIUDSAMLSA-N
Compound name
[(1S,6S,7R)-7-bicyclo[4.2.0]octanyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.04813 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05541 135.6
[M+Na]+ 245.03735 141.3
[M-H]- 221.04085 139.2
[M+NH4]+ 240.08195 149.8
[M+K]+ 261.01129 140.7
[M+H-H2O]+ 205.04539 126.6
[M+HCOO]- 267.04633 143.7
[M+CH3COO]- 281.06198 187.0
[M+Na-2H]- 243.02280 139.4
[M]+ 222.04758 145.2
[M]- 222.04868 145.2
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.