CID 122236107

Methyl 4-sulfobutanoate

Structural Information

Molecular Formula
C5H9FO4S
SMILES
COC(=O)CCCS(=O)(=O)F
InChI
InChI=1S/C5H9FO4S/c1-10-5(7)3-2-4-11(6,8)9/h2-4H2,1H3
InChIKey
LCACPBUWMRLCRG-UHFFFAOYSA-N
Compound name
methyl 4-fluorosulfonylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.02055 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02783 138.5
[M+Na]+ 207.00977 146.1
[M+NH4]+ 202.05437 143.9
[M+K]+ 222.98371 141.1
[M-H]- 183.01327 134.0
[M+Na-2H]- 204.99522 139.2
[M]+ 184.02000 138.3
[M]- 184.02110 138.3
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.