CID 28371955

1019462-57-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.