CID 44852

63867-19-6

Structural Information

Molecular Formula
C4H7FO3
SMILES
CC(C(C(=O)O)O)F
InChI
InChI=1S/C4H7FO3/c1-2(5)3(6)4(7)8/h2-3,6H,1H3,(H,7,8)
InChIKey
LBDUIOYGZPXAHC-UHFFFAOYSA-N
Compound name
3-fluoro-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

122.037926 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04520 121.4
[M+Na]+ 145.02714 128.2
[M-H]- 121.03065 118.0
[M+NH4]+ 140.07175 142.1
[M+K]+ 161.00108 128.4
[M+H-H2O]+ 105.03519 116.7
[M+HCOO]- 167.03613 139.7
[M+CH3COO]- 181.05178 166.2
[M+Na-2H]- 143.01259 124.1
[M]+ 122.03738 118.6
[M]- 122.03847 118.6
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