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]+ 153.038006 128.8
[M+Na]+ 175.019948 135.6
[M-H]- 151.023454 126.6
[M+NH4]+ 170.064553 149.6
[M+K]+ 190.993888 134.5
[M+H-H2O]+ 135.027990 123.3
[M+HCOO]- 197.028931 143.4
[M+CH3COO]- 211.044581 172.1
[M+Na-2H]- 173.005396 129.4
[M]+ 152.03018142 129.4
[M]- 152.03127858 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.