CID 2361

Beta-naphthoflavone

Structural Information

Molecular Formula
C19H12O2
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H
InChIKey
OUGIDAPQYNCXRA-UHFFFAOYSA-N
Compound name
3-phenylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1583
References

2923
Patents

272.08374 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.091016 159.1
[M+Na]+ 295.072958 170.5
[M-H]- 271.076464 169.2
[M+NH4]+ 290.117563 176.0
[M+K]+ 311.046898 165.6
[M+H-H2O]+ 255.081000 150.5
[M+HCOO]- 317.081941 182.2
[M+CH3COO]- 331.097591 172.8
[M+Na-2H]- 293.058406 169.9
[M]+ 272.08319142 162.4
[M]- 272.08428858 162.4
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