CID 131267076

2090038-37-0

Structural Information

Molecular Formula
C9H13ClO4S
SMILES
COC(=O)C12CCC(C1)CC2S(=O)(=O)Cl
InChI
InChI=1S/C9H13ClO4S/c1-14-8(11)9-3-2-6(5-9)4-7(9)15(10,12)13/h6-7H,2-5H2,1H3
InChIKey
MAXDFKIKOMGXQQ-UHFFFAOYSA-N
Compound name
methyl 2-chlorosulfonylbicyclo[2.2.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02231 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02959 156.3
[M+Na]+ 275.01153 165.6
[M-H]- 251.01503 159.7
[M+NH4]+ 270.05613 182.0
[M+K]+ 290.98547 162.9
[M+H-H2O]+ 235.01957 155.3
[M+HCOO]- 297.02051 166.8
[M+CH3COO]- 311.03616 185.9
[M+Na-2H]- 272.99698 158.8
[M]+ 252.02176 162.0
[M]- 252.02286 162.0
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.