CID 22492437

Ethyl 2-(chlorosulfonyl)pentanoate

Structural Information

Molecular Formula
C7H13ClO4S
SMILES
CCCC(C(=O)OCC)S(=O)(=O)Cl
InChI
InChI=1S/C7H13ClO4S/c1-3-5-6(13(8,10)11)7(9)12-4-2/h6H,3-5H2,1-2H3
InChIKey
UULXWMAWSZFCGF-UHFFFAOYSA-N
Compound name
ethyl 2-chlorosulfonylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02231 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02959 143.8
[M+Na]+ 251.01153 151.7
[M-H]- 227.01503 144.7
[M+NH4]+ 246.05613 163.3
[M+K]+ 266.98547 149.5
[M+H-H2O]+ 211.01957 140.4
[M+HCOO]- 273.02051 155.5
[M+CH3COO]- 287.03616 184.5
[M+Na-2H]- 248.99698 145.5
[M]+ 228.02176 151.2
[M]- 228.02286 151.2
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.