CID 11818168

4-phenyl-1h,3h-naphtho[1,8-cd]pyran-1,3-dione

Structural Information

Molecular Formula
C18H10O3
SMILES
C1=CC=C(C=C1)C2=C3C4=C(C=CC=C4C(=O)OC3=O)C=C2
InChI
InChI=1S/C18H10O3/c19-17-14-8-4-7-12-9-10-13(11-5-2-1-3-6-11)16(15(12)14)18(20)21-17/h1-10H
InChIKey
ISOSGRNBACDIEA-UHFFFAOYSA-N
Compound name
6-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.063 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07028 158.8
[M+Na]+ 297.05222 168.4
[M-H]- 273.05572 167.7
[M+NH4]+ 292.09682 175.8
[M+K]+ 313.02616 164.6
[M+H-H2O]+ 257.06026 150.4
[M+HCOO]- 319.06120 178.4
[M+CH3COO]- 333.07685 171.6
[M+Na-2H]- 295.03767 167.1
[M]+ 274.06245 160.6
[M]- 274.06355 160.6
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