CID 163447

2-(4-hydroxy-3-phenylbenzoyl)benzoic acid

Structural Information

Molecular Formula
C20H14O4
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O
InChI
InChI=1S/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24)
InChIKey
PKHPZNKXOBWFCX-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

318.0892 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09648 172.4
[M+Na]+ 341.07842 179.0
[M-H]- 317.08192 179.8
[M+NH4]+ 336.12302 184.5
[M+K]+ 357.05236 174.0
[M+H-H2O]+ 301.08646 163.8
[M+HCOO]- 363.08740 192.1
[M+CH3COO]- 377.10305 203.3
[M+Na-2H]- 339.06387 174.3
[M]+ 318.08865 171.3
[M]- 318.08975 171.3
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