CID 296659

1817-49-8

Structural Information

Molecular Formula
C15H12O
SMILES
C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)O
InChI
InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10,15-16H
InChIKey
DZZWMODRWHHWFR-UHFFFAOYSA-N
Compound name
1,3-diphenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

115
Patents

208.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 150.5
[M+Na]+ 231.07804 164.6
[M+NH4]+ 226.12264 156.2
[M+K]+ 247.05198 153.4
[M-H]- 207.08154 146.8
[M+Na-2H]- 229.06349 156.9
[M]+ 208.08827 150.8
[M]- 208.08937 150.8
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