CID 9898825

3,3-difluoro-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C3H4F2O3
SMILES
C(C(F)F)(C(=O)O)O
InChI
InChI=1S/C3H4F2O3/c4-2(5)1(6)3(7)8/h1-2,6H,(H,7,8)
InChIKey
XHZVULXGMGJDID-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

126.01285 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.02013 119.0
[M+Na]+ 149.00207 126.2
[M-H]- 125.00557 114.3
[M+NH4]+ 144.04667 139.4
[M+K]+ 164.97601 126.2
[M+H-H2O]+ 109.01011 113.4
[M+HCOO]- 171.01105 136.6
[M+CH3COO]- 185.02670 166.0
[M+Na-2H]- 146.98752 121.6
[M]+ 126.01230 114.5
[M]- 126.01340 114.5
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