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]+ 123.045202 121.4
[M+Na]+ 145.027144 128.2
[M-H]- 121.030650 118.0
[M+NH4]+ 140.071749 142.1
[M+K]+ 161.001084 128.4
[M+H-H2O]+ 105.035186 116.7
[M+HCOO]- 167.036127 139.7
[M+CH3COO]- 181.051777 166.2
[M+Na-2H]- 143.012592 124.1
[M]+ 122.03737742 118.6
[M]- 122.03847458 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