CID 568438

1,5-diphenyl-1,4-pentadiyn-3-ol

Structural Information

Molecular Formula
C17H12O
SMILES
C1=CC=C(C=C1)C#CC(C#CC2=CC=CC=C2)O
InChI
InChI=1S/C17H12O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H
InChIKey
ZEECGOMCOVMMME-UHFFFAOYSA-N
Compound name
1,5-diphenylpenta-1,4-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

232.08882 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09610 178.0
[M+Na]+ 255.07804 188.3
[M+NH4]+ 250.12264 179.0
[M+K]+ 271.05198 176.2
[M-H]- 231.08154 168.6
[M+Na-2H]- 253.06349 178.5
[M]+ 232.08827 175.7
[M]- 232.08937 175.7
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