CID 555037

2,3-diphenyl-1,4-naphthoquinone

Structural Information

Molecular Formula
C22H14O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H14O2/c23-21-17-13-7-8-14-18(17)22(24)20(16-11-5-2-6-12-16)19(21)15-9-3-1-4-10-15/h1-14H
InChIKey
RQKNUWMTUVJWOA-UHFFFAOYSA-N
Compound name
2,3-diphenylnaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

310.09937 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.10665 172.4
[M+Na]+ 333.08859 181.1
[M-H]- 309.09209 183.1
[M+NH4]+ 328.13319 187.4
[M+K]+ 349.06253 174.5
[M+H-H2O]+ 293.09663 162.6
[M+HCOO]- 355.09757 194.1
[M+CH3COO]- 369.11322 184.1
[M+Na-2H]- 331.07404 177.4
[M]+ 310.09882 171.4
[M]- 310.09992 171.4
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