CID 138987708

2168775-82-2

Structural Information

Molecular Formula
C8H13ClO4S
SMILES
COC(=O)CC1CCC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO4S/c1-13-8(10)5-6-2-3-7(4-6)14(9,11)12/h6-7H,2-5H2,1H3
InChIKey
SUFPUZSNHGYFFL-UHFFFAOYSA-N
Compound name
methyl 2-(3-chlorosulfonylcyclopentyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02231 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02959 150.3
[M+Na]+ 263.01153 158.4
[M-H]- 239.01503 154.2
[M+NH4]+ 258.05613 171.1
[M+K]+ 278.98547 155.7
[M+H-H2O]+ 223.01957 146.8
[M+HCOO]- 285.02051 162.1
[M+CH3COO]- 299.03616 184.0
[M+Na-2H]- 260.99698 150.5
[M]+ 240.02176 154.7
[M]- 240.02286 154.7
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.