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

5
Patents

140.0285 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.035776 123.8
[M+Na]+ 163.017718 130.5
[M-H]- 139.021224 118.9
[M+NH4]+ 158.062323 143.6
[M+K]+ 178.991658 130.3
[M+H-H2O]+ 123.025760 118.0
[M+HCOO]- 185.026701 141.0
[M+CH3COO]- 199.042351 169.0
[M+Na-2H]- 161.003166 125.8
[M]+ 140.02795142 119.6
[M]- 140.02904858 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