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 171.4
[M+Na]+ 301.02718 180.6
[M-H]- 277.03068 172.3
[M+NH4]+ 296.07178 203.9
[M+K]+ 317.00112 178.1
[M+H-H2O]+ 261.03522 173.6
[M+HCOO]- 323.03616 178.8
[M+CH3COO]- 337.05181 195.2
[M+Na-2H]- 299.01263 176.2
[M]+ 278.03741 184.2
[M]- 278.03851 184.2
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.