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]+ 276.10192 161.7
[M+Na]+ 298.08386 170.0
[M-H]- 274.08736 172.0
[M+NH4]+ 293.12846 177.2
[M+K]+ 314.05780 165.1
[M+H-H2O]+ 258.09190 152.7
[M+HCOO]- 320.09284 187.7
[M+CH3COO]- 334.10849 174.5
[M+Na-2H]- 296.06931 168.3
[M]+ 275.09409 162.1
[M]- 275.09519 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.