CID 2783081

4-(3-fluorobenzyloxy)benzoic acid

Structural Information

Molecular Formula
C14H11FO3
SMILES
C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C14H11FO3/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H,16,17)
InChIKey
GSTZODCOPHCYCV-UHFFFAOYSA-N
Compound name
4-[(3-fluorophenyl)methoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

246.06923 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07651 151.5
[M+Na]+ 269.05845 159.4
[M-H]- 245.06195 155.9
[M+NH4]+ 264.10305 167.9
[M+K]+ 285.03239 155.8
[M+H-H2O]+ 229.06649 143.4
[M+HCOO]- 291.06743 173.1
[M+CH3COO]- 305.08308 190.6
[M+Na-2H]- 267.04390 155.8
[M]+ 246.06868 151.3
[M]- 246.06978 151.3
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