CID 296659

1,3-diphenyl-2-propyn-1-ol

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

109
Patents

208.08882 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.096096 153.0
[M+Na]+ 231.078038 162.1
[M-H]- 207.081544 155.7
[M+NH4]+ 226.122643 168.6
[M+K]+ 247.051978 154.8
[M+H-H2O]+ 191.086080 140.2
[M+HCOO]- 253.087021 169.0
[M+CH3COO]- 267.102671 163.2
[M+Na-2H]- 229.063486 157.2
[M]+ 208.08827142 145.1
[M]- 208.08936858 145.1
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