CID 92976

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

Structural Information

Molecular Formula
C15H12O
SMILES
C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H
InChIKey
SMCLTAARQYTXLW-UHFFFAOYSA-N
Compound name
1,1-diphenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1453
Patents

208.08882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09610 150.6
[M+Na]+ 231.07804 164.6
[M+NH4]+ 226.12264 156.1
[M+K]+ 247.05198 153.9
[M-H]- 207.08154 146.5
[M+Na-2H]- 229.06349 157.2
[M]+ 208.08827 150.9
[M]- 208.08937 150.9
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