CID 50692

Butyric acid, 4-fluoro-2-hydroxy-, sodium salt

Structural Information

Molecular Formula
C4H7FO3
SMILES
C(CF)C(C(=O)O)O
InChI
InChI=1S/C4H7FO3/c5-2-1-3(6)4(7)8/h3,6H,1-2H2,(H,7,8)
InChIKey
SEVCNPDIXFSYCF-UHFFFAOYSA-N
Compound name
4-fluoro-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

122.037926 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.045202 121.4
[M+Na]+ 145.027144 128.4
[M-H]- 121.030650 117.8
[M+NH4]+ 140.071749 142.2
[M+K]+ 161.001084 128.1
[M+H-H2O]+ 105.035186 116.6
[M+HCOO]- 167.036127 140.7
[M+CH3COO]- 181.051777 165.3
[M+Na-2H]- 143.012592 125.3
[M]+ 122.03737742 119.2
[M]- 122.03847458 119.2
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

patents stripe