CID 165787935

2445794-53-4

Structural Information

Molecular Formula
C11H15ClO4S
SMILES
COC(=O)C12CC3CC1(CC3C2)CS(=O)(=O)Cl
InChI
InChI=1S/C11H15ClO4S/c1-16-9(13)11-4-7-2-10(11,3-8(7)5-11)6-17(12,14)15/h7-8H,2-6H2,1H3
InChIKey
RGRAROMBVDHJBB-UHFFFAOYSA-N
Compound name
methyl 5-(chlorosulfonylmethyl)tricyclo[3.3.0.03,7]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03796 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04524 156.2
[M+Na]+ 301.02718 160.4
[M+NH4]+ 296.07178 167.7
[M+K]+ 317.00112 158.1
[M-H]- 277.03068 151.0
[M+Na-2H]- 299.01263 153.4
[M]+ 278.03741 156.0
[M]- 278.03851 156.0
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.