CID 98115810

Rac-methyl (1r,2s)-2-(chlorosulfonyl)cyclopentane-1-carboxylate

Structural Information

Molecular Formula
C7H11ClO4S
SMILES
COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO4S/c1-12-7(9)5-3-2-4-6(5)13(8,10)11/h5-6H,2-4H2,1H3/t5-,6-/m1/s1
InChIKey
AXFYZSWSTCZCQT-PHDIDXHHSA-N
Compound name
methyl (1S,2R)-2-chlorosulfonylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00665 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01393 145.7
[M+Na]+ 248.99587 154.3
[M-H]- 224.99937 149.8
[M+NH4]+ 244.04047 167.1
[M+K]+ 264.96981 151.8
[M+H-H2O]+ 209.00391 142.4
[M+HCOO]- 271.00485 157.8
[M+CH3COO]- 285.02050 181.0
[M+Na-2H]- 246.98132 146.4
[M]+ 226.00610 149.8
[M]- 226.00720 149.8
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.