CID 19770379

3-(4-fluorophenyl)-3-hydroxypropanoic acid

Structural Information

Molecular Formula
C9H9FO3
SMILES
C1=CC(=CC=C1C(CC(=O)O)O)F
InChI
InChI=1S/C9H9FO3/c10-7-3-1-6(2-4-7)8(11)5-9(12)13/h1-4,8,11H,5H2,(H,12,13)
InChIKey
QLEUDHYLOHWMLQ-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

184.05357 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.06085 135.8
[M+Na]+ 207.04279 143.0
[M-H]- 183.04629 135.6
[M+NH4]+ 202.08739 154.1
[M+K]+ 223.01673 140.8
[M+H-H2O]+ 167.05083 129.7
[M+HCOO]- 229.05177 155.2
[M+CH3COO]- 243.06742 176.9
[M+Na-2H]- 205.02824 139.2
[M]+ 184.05302 133.5
[M]- 184.05412 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe