CID 267145

641-57-6

Structural Information

Molecular Formula

C₂₇H₁₆O

SMILES

C1=CC=C(C=C1)C2=C3C4=CC=CC5=C4C(=CC=C5)C3=C(C2=O)C6=CC=CC=C6

InChI

InChI=1S/C27H16O/c28-27-23(18-9-3-1-4-10-18)25-20-15-7-13-17-14-8-16-21(22(17)20)26(25)24(27)19-11-5-2-6-12-19/h1-16H

InChIKey

QQGHPFDLUNMBGJ-UHFFFAOYSA-N

Compound name

7,9-diphenylcyclopenta[a]acenaphthylen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 206
Patents: 356.12012 Da
Monoisotopic Mass: 5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	357.12740	186.6
[M+Na]+	379.10934	197.0
[M-H]-	355.11284	199.6
[M+NH4]+	374.15394	205.8
[M+K]+	395.08328	188.4
[M+H-H2O]+	339.11738	178.2
[M+HCOO]-	401.11832	208.6
[M+CH3COO]-	415.13397	198.6
[M+Na-2H]-	377.09479	188.6
[M]+	356.11957	189.4
[M]-	356.12067	189.4

Literature stripe

literature stripe

Patent stripe

patents stripe