CID 72805222

4,4-difluoro-2-hydroxybutanoic acid

Structural Information

Molecular Formula
C4H6F2O3
SMILES
C(C(C(=O)O)O)C(F)F
InChI
InChI=1S/C4H6F2O3/c5-3(6)1-2(7)4(8)9/h2-3,7H,1H2,(H,8,9)
InChIKey
BGOLDFOBUFLIRO-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

140.0285 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03578 123.8
[M+Na]+ 163.01772 130.5
[M-H]- 139.02122 118.9
[M+NH4]+ 158.06232 143.6
[M+K]+ 178.99166 130.3
[M+H-H2O]+ 123.02576 118.0
[M+HCOO]- 185.02670 141.0
[M+CH3COO]- 199.04235 169.0
[M+Na-2H]- 161.00317 125.8
[M]+ 140.02795 119.6
[M]- 140.02905 119.6
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