CID 122236107

1955498-32-4

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 132.9
[M+Na]+ 207.00977 141.2
[M-H]- 183.01327 132.3
[M+NH4]+ 202.05437 153.2
[M+K]+ 222.98371 140.5
[M+H-H2O]+ 167.01781 127.5
[M+HCOO]- 229.01875 149.5
[M+CH3COO]- 243.03440 176.5
[M+Na-2H]- 204.99522 136.2
[M]+ 184.02000 137.2
[M]- 184.02110 137.2
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.