CID 97637

7338-94-5

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

7
References

137
Patents

206.07317 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.080446 151.6
[M+Na]+ 229.062388 161.4
[M-H]- 205.065894 155.7
[M+NH4]+ 224.106993 167.9
[M+K]+ 245.036328 154.3
[M+H-H2O]+ 189.070430 138.6
[M+HCOO]- 251.071371 169.2
[M+CH3COO]- 265.087021 192.0
[M+Na-2H]- 227.047836 156.3
[M]+ 206.07262142 144.8
[M]- 206.07371858 144.8
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