CID 18521088

4-hydroxy-2-phenylbenzoic acid

Structural Information

Molecular Formula
C13H10O3
SMILES
C1=CC=C(C=C1)C2=C(C=CC(=C2)O)C(=O)O
InChI
InChI=1S/C13H10O3/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
InChIKey
IPXDGHZTUBSPSG-UHFFFAOYSA-N
Compound name
4-hydroxy-2-phenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

214.06299 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.070266 144.3
[M+Na]+ 237.052208 152.2
[M-H]- 213.055714 148.9
[M+NH4]+ 232.096813 161.4
[M+K]+ 253.026148 148.4
[M+H-H2O]+ 197.060250 137.8
[M+HCOO]- 259.061191 165.9
[M+CH3COO]- 273.076841 182.4
[M+Na-2H]- 235.037656 149.4
[M]+ 214.06244142 143.1
[M]- 214.06353858 143.1
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

patents stripe