CID 82099

2-(4-fluorobenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H9FO3
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChIKey
FJAZVXUPZQSZKI-UHFFFAOYSA-N
Compound name
2-(4-fluorobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

305
Patents

244.05357 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.06085 150.0
[M+Na]+ 267.04279 158.0
[M-H]- 243.04629 154.6
[M+NH4]+ 262.08739 166.4
[M+K]+ 283.01673 154.3
[M+H-H2O]+ 227.05083 142.2
[M+HCOO]- 289.05177 170.9
[M+CH3COO]- 303.06742 190.7
[M+Na-2H]- 265.02824 153.2
[M]+ 244.05302 148.6
[M]- 244.05412 148.6
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