CID 2774098

3,3-difluoro-2-hydroxy-3-phenylpropanoic acid

Structural Information

Molecular Formula
C9H8F2O3
SMILES
C1=CC=C(C=C1)C(C(C(=O)O)O)(F)F
InChI
InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)
InChIKey
JCELIJYTLDZTOR-UHFFFAOYSA-N
Compound name
3,3-difluoro-2-hydroxy-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

202.04414 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.051416 138.4
[M+Na]+ 225.033358 145.1
[M-H]- 201.036864 136.7
[M+NH4]+ 220.077963 155.6
[M+K]+ 241.007298 142.8
[M+H-H2O]+ 185.041400 131.7
[M+HCOO]- 247.042341 155.1
[M+CH3COO]- 261.057991 178.8
[M+Na-2H]- 223.018806 142.7
[M]+ 202.04359142 134.0
[M]- 202.04468858 134.0
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