CID 3017967

69888-91-1

Structural Information

Molecular Formula
C9H9FO3
SMILES
C1=CC(=C(C=C1CCC(=O)O)F)O
InChI
InChI=1S/C9H9FO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1,3,5,11H,2,4H2,(H,12,13)
InChIKey
RMXXLSLLEBZFBS-UHFFFAOYSA-N
Compound name
3-(3-fluoro-4-hydroxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

184.05357 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.060846 135.0
[M+Na]+ 207.042788 143.4
[M-H]- 183.046294 135.2
[M+NH4]+ 202.087393 153.8
[M+K]+ 223.016728 140.7
[M+H-H2O]+ 167.050830 129.1
[M+HCOO]- 229.051771 155.4
[M+CH3COO]- 243.067421 177.2
[M+Na-2H]- 205.028236 139.0
[M]+ 184.05302142 133.8
[M]- 184.05411858 133.8
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