CID 296835

4,4-diphenyl-2,5-cyclohexadien-1-one

Structural Information

Molecular Formula
C18H14O
SMILES
C1=CC=C(C=C1)C2(C=CC(=O)C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H14O/c19-17-11-13-18(14-12-17,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKey
JUOUFRXTZODGAN-UHFFFAOYSA-N
Compound name
4,4-diphenylcyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

36
Patents

246.10446 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11174 156.9
[M+Na]+ 269.09368 164.4
[M-H]- 245.09718 166.6
[M+NH4]+ 264.13828 175.3
[M+K]+ 285.06762 159.2
[M+H-H2O]+ 229.10172 148.3
[M+HCOO]- 291.10266 180.3
[M+CH3COO]- 305.11831 169.5
[M+Na-2H]- 267.07913 164.3
[M]+ 246.10391 154.5
[M]- 246.10501 154.5
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