CID 3470553

2,5-diphenyl-(1,4)benzoquinone monooxime

Structural Information

Molecular Formula
C18H13NO2
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2O)C3=CC=CC=C3)N=O
InChI
InChI=1S/C18H13NO2/c20-18-12-15(13-7-3-1-4-8-13)17(19-21)11-16(18)14-9-5-2-6-10-14/h1-12,20H
InChIKey
ZHFINIVTNXKHGU-UHFFFAOYSA-N
Compound name
4-nitroso-2,5-diphenylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09464 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.101916 161.7
[M+Na]+ 298.083858 170.0
[M-H]- 274.087364 172.0
[M+NH4]+ 293.128463 177.2
[M+K]+ 314.057798 165.1
[M+H-H2O]+ 258.091900 152.7
[M+HCOO]- 320.092841 187.7
[M+CH3COO]- 334.108491 174.5
[M+Na-2H]- 296.069306 168.3
[M]+ 275.09409142 162.1
[M]- 275.09518858 162.1
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

No patent data available for this compound.