CID 6426651

4-hydroxyphenyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C13H10O4
SMILES
C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)O)O
InChI
InChI=1S/C13H10O4/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8,14-15H
InChIKey
OQBPCYUKFSJTDU-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl) 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

547
Patents

230.0579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 147.6
[M+Na]+ 253.04712 155.4
[M-H]- 229.05062 152.3
[M+NH4]+ 248.09172 164.0
[M+K]+ 269.02106 152.3
[M+H-H2O]+ 213.05516 140.9
[M+HCOO]- 275.05610 169.4
[M+CH3COO]- 289.07175 184.0
[M+Na-2H]- 251.03257 152.7
[M]+ 230.05735 147.7
[M]- 230.05845 147.7
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