CID 65057

Diphenylcyclopropenone

Structural Information

Molecular Formula
C15H10O
SMILES
C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
InChIKey
HCIBTBXNLVOFER-UHFFFAOYSA-N
Compound name
2,3-diphenylcycloprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

344
References

2061
Patents

206.07317 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.080446 140.5
[M+Na]+ 229.062388 151.6
[M-H]- 205.065894 151.6
[M+NH4]+ 224.106993 154.7
[M+K]+ 245.036328 147.2
[M+H-H2O]+ 189.070430 133.1
[M+HCOO]- 251.071371 167.1
[M+CH3COO]- 265.087021 154.8
[M+Na-2H]- 227.047836 148.2
[M]+ 206.07262142 143.7
[M]- 206.07371858 143.7
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