CID 5153294

10-phenyl-5h-dibenzo(a,d)cyclohepten-5-one

Structural Information

Molecular Formula
C21H14O
SMILES
C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=O)C4=CC=CC=C42
InChI
InChI=1S/C21H14O/c22-21-17-11-5-4-10-16(17)14-20(15-8-2-1-3-9-15)18-12-6-7-13-19(18)21/h1-14H
InChIKey
BVNBQDWDDAHDRC-UHFFFAOYSA-N
Compound name
9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.10446 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.111736 166.1
[M+Na]+ 305.093678 175.5
[M-H]- 281.097184 176.3
[M+NH4]+ 300.138283 183.1
[M+K]+ 321.067618 173.1
[M+H-H2O]+ 265.101720 160.8
[M+HCOO]- 327.102661 188.7
[M+CH3COO]- 341.118311 178.6
[M+Na-2H]- 303.079126 174.4
[M]+ 282.10391142 165.2
[M]- 282.10500858 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe