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

37
Patents

140.0285 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.035776 122.7
[M+Na]+ 163.017718 130.2
[M-H]- 139.021224 118.1
[M+NH4]+ 158.062323 142.8
[M+K]+ 178.991658 130.0
[M+H-H2O]+ 123.025760 117.7
[M+HCOO]- 185.026701 139.5
[M+CH3COO]- 199.042351 168.3
[M+Na-2H]- 161.003166 126.9
[M]+ 140.02795142 118.8
[M]- 140.02904858 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