CID 57975

100700-28-5

Structural Information

Molecular Formula
C5H9FO2S
SMILES
CSC(=O)C(CCF)O
InChI
InChI=1S/C5H9FO2S/c1-9-5(8)4(7)2-3-6/h4,7H,2-3H2,1H3
InChIKey
ASPNJYUDYUKRDH-UHFFFAOYSA-N
Compound name
S-methyl 4-fluoro-2-hydroxybutanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.03073 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03801 128.8
[M+Na]+ 175.01995 135.6
[M-H]- 151.02345 126.6
[M+NH4]+ 170.06455 149.6
[M+K]+ 190.99389 134.5
[M+H-H2O]+ 135.02799 123.3
[M+HCOO]- 197.02893 143.4
[M+CH3COO]- 211.04458 172.1
[M+Na-2H]- 173.00540 129.4
[M]+ 152.03018 129.4
[M]- 152.03128 129.4
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.