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]+ 283.11174 166.1
[M+Na]+ 305.09368 175.5
[M-H]- 281.09718 176.3
[M+NH4]+ 300.13828 183.1
[M+K]+ 321.06762 173.1
[M+H-H2O]+ 265.10172 160.8
[M+HCOO]- 327.10266 188.7
[M+CH3COO]- 341.11831 178.6
[M+Na-2H]- 303.07913 174.4
[M]+ 282.10391 165.2
[M]- 282.10501 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