CID 87993

1,8-dibenzoylnaphthalene

Structural Information

Molecular Formula
C24H16O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H16O2/c25-23(18-9-3-1-4-10-18)20-15-7-13-17-14-8-16-21(22(17)20)24(26)19-11-5-2-6-12-19/h1-16H
InChIKey
QPKUOOVISUGIRK-UHFFFAOYSA-N
Compound name
(8-benzoylnaphthalen-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

336.11502 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.122296 180.5
[M+Na]+ 359.104238 186.7
[M-H]- 335.107744 190.4
[M+NH4]+ 354.148843 193.6
[M+K]+ 375.078178 180.4
[M+H-H2O]+ 319.112280 170.4
[M+HCOO]- 381.113221 200.8
[M+CH3COO]- 395.128871 190.8
[M+Na-2H]- 357.089686 184.6
[M]+ 336.11447142 179.5
[M]- 336.11556858 179.5
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