CID 43142305

Ethyl 4-(chlorosulfonyl)butanoate

Structural Information

Molecular Formula
C6H11ClO4S
SMILES
CCOC(=O)CCCS(=O)(=O)Cl
InChI
InChI=1S/C6H11ClO4S/c1-2-11-6(8)4-3-5-12(7,9)10/h2-5H2,1H3
InChIKey
WATIBNFNUAUDJJ-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

214.00665 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.013926 140.0
[M+Na]+ 236.995868 148.6
[M-H]- 212.999374 140.9
[M+NH4]+ 232.040473 160.1
[M+K]+ 252.969808 146.1
[M+H-H2O]+ 197.003910 136.6
[M+HCOO]- 259.004851 153.0
[M+CH3COO]- 273.020501 180.6
[M+Na-2H]- 234.981316 143.1
[M]+ 214.00610142 147.6
[M]- 214.00719858 147.6
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

patents stripe