CID 21610273

2,2-difluoro-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C3H4F2O3
SMILES
C(C(C(=O)O)(F)F)O
InChI
InChI=1S/C3H4F2O3/c4-3(5,1-6)2(7)8/h6H,1H2,(H,7,8)
InChIKey
MBGWRZJHVFZWDO-UHFFFAOYSA-N
Compound name
2,2-difluoro-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

126.01285 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02013 118.3
[M+Na]+ 149.00207 126.4
[M-H]- 125.00557 113.8
[M+NH4]+ 144.04667 139.0
[M+K]+ 164.97601 125.9
[M+H-H2O]+ 109.01011 113.3
[M+HCOO]- 171.01105 136.3
[M+CH3COO]- 185.02670 164.4
[M+Na-2H]- 146.98752 124.3
[M]+ 126.01230 114.6
[M]- 126.01340 114.6
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