CID 112639748

753454-46-5

Structural Information

Molecular Formula
C9H15ClO2S
SMILES
C1CC2CC1CC2CCS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO2S/c10-13(11,12)4-3-9-6-7-1-2-8(9)5-7/h7-9H,1-6H2
InChIKey
BOYOENMDTZTPPR-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)ethanesulfonyl 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 148.0
[M+Na]+ 245.03735 156.3
[M+NH4]+ 240.08195 157.3
[M+K]+ 261.01129 151.9
[M-H]- 221.04085 147.3
[M+Na-2H]- 243.02280 148.4
[M]+ 222.04758 149.5
[M]- 222.04868 149.5
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.