CID 165654903

4-[(1s)-2,2-difluoro-1-hydroxyethyl]benzoicacid

Structural Information

Molecular Formula
C9H8F2O3
SMILES
C1=CC(=CC=C1[C@@H](C(F)F)O)C(=O)O
InChI
InChI=1S/C9H8F2O3/c10-8(11)7(12)5-1-3-6(4-2-5)9(13)14/h1-4,7-8,12H,(H,13,14)/t7-/m0/s1
InChIKey
BINDKUNWJAPUSV-ZETCQYMHSA-N
Compound name
4-[(1S)-2,2-difluoro-1-hydroxyethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04414 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05142 142.6
[M+Na]+ 225.03336 151.2
[M+NH4]+ 220.07796 147.8
[M+K]+ 241.00730 147.9
[M-H]- 201.03686 139.4
[M+Na-2H]- 223.01881 145.5
[M]+ 202.04359 142.4
[M]- 202.04469 142.4
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

No patent data available for this compound.