CID 755506

2-(2,5-difluorobenzoyl)benzoic acid

Structural Information

Molecular Formula
C14H8F2O3
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)F)F)C(=O)O
InChI
InChI=1S/C14H8F2O3/c15-8-5-6-12(16)11(7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
InChIKey
RNHIUPRMCMNDFX-UHFFFAOYSA-N
Compound name
2-(2,5-difluorobenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

262.04416 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05144 152.5
[M+Na]+ 285.03338 161.4
[M-H]- 261.03688 156.0
[M+NH4]+ 280.07798 168.3
[M+K]+ 301.00732 157.3
[M+H-H2O]+ 245.04142 143.9
[M+HCOO]- 307.04236 172.2
[M+CH3COO]- 321.05801 194.6
[M+Na-2H]- 283.01883 154.4
[M]+ 262.04361 150.3
[M]- 262.04471 150.3
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

No patent data available for this compound.