CID 4068554

1,5-dibenzoyl-1,3-cyclopentadiene

Structural Information

Molecular Formula
C19H14O2
SMILES
C1=CC=C(C=C1)C(=O)C2C=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H14O2/c20-18(14-8-3-1-4-9-14)16-12-7-13-17(16)19(21)15-10-5-2-6-11-15/h1-13,16H
InChIKey
RWBSARGBEDGWIH-UHFFFAOYSA-N
Compound name
(2-benzoylcyclopenta-2,4-dien-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

274.09937 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 163.7
[M+Na]+ 297.08859 170.1
[M-H]- 273.09209 173.5
[M+NH4]+ 292.13319 180.6
[M+K]+ 313.06253 165.6
[M+H-H2O]+ 257.09663 155.7
[M+HCOO]- 319.09757 187.3
[M+CH3COO]- 333.11322 198.1
[M+Na-2H]- 295.07404 165.6
[M]+ 274.09882 163.2
[M]- 274.09992 163.2
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