CID 72859

2,5-diphenylhydroquinone

Structural Information

Molecular Formula
C18H14O2
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2O)C3=CC=CC=C3)O
InChI
InChI=1S/C18H14O2/c19-17-12-16(14-9-5-2-6-10-14)18(20)11-15(17)13-7-3-1-4-8-13/h1-12,19-20H
InChIKey
BVVCBZSERKSMIE-UHFFFAOYSA-N
Compound name
2,5-diphenylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

134
Patents

262.09937 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.106646 159.1
[M+Na]+ 285.088588 167.2
[M-H]- 261.092094 166.8
[M+NH4]+ 280.133193 174.2
[M+K]+ 301.062528 161.2
[M+H-H2O]+ 245.096630 151.2
[M+HCOO]- 307.097571 180.9
[M+CH3COO]- 321.113221 171.1
[M+Na-2H]- 283.074036 164.5
[M]+ 262.09882142 157.3
[M]- 262.09991858 157.3
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