CID 226666

1-phenyl-2,3-naphthalenedicarboxylic anhydride

Structural Information

Molecular Formula
C18H10O3
SMILES
C1=CC=C(C=C1)C2=C3C(=CC4=CC=CC=C42)C(=O)OC3=O
InChI
InChI=1S/C18H10O3/c19-17-14-10-12-8-4-5-9-13(12)15(16(14)18(20)21-17)11-6-2-1-3-7-11/h1-10H
InChIKey
LZQGZQKISQRHJH-UHFFFAOYSA-N
Compound name
4-phenylbenzo[f][2]benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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 158.7
[M+Na]+ 297.05222 169.4
[M-H]- 273.05572 168.8
[M+NH4]+ 292.09682 177.5
[M+K]+ 313.02616 165.2
[M+H-H2O]+ 257.06026 151.8
[M+HCOO]- 319.06120 180.6
[M+CH3COO]- 333.07685 172.4
[M+Na-2H]- 295.03767 164.7
[M]+ 274.06245 161.0
[M]- 274.06355 161.0
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