CID 14786032

Sodium 3,3-difluoro-2-hydroxy-2-methylpropanoate

Structural Information

Molecular Formula
C4H6F2O3
SMILES
CC(C(F)F)(C(=O)O)O
InChI
InChI=1S/C4H6F2O3/c1-4(9,2(5)6)3(7)8/h2,9H,1H3,(H,7,8)
InChIKey
IGCQAJNFEBAMJJ-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-hydroxy-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

140.0285 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03578 122.7
[M+Na]+ 163.01772 130.2
[M-H]- 139.02122 118.1
[M+NH4]+ 158.06232 142.8
[M+K]+ 178.99166 130.0
[M+H-H2O]+ 123.02576 117.7
[M+HCOO]- 185.02670 139.5
[M+CH3COO]- 199.04235 168.3
[M+Na-2H]- 161.00317 126.9
[M]+ 140.02795 118.8
[M]- 140.02905 118.8
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