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

1499
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 154.8
[M+Na]+ 231.07804 164.3
[M-H]- 207.08154 157.8
[M+NH4]+ 226.12264 170.4
[M+K]+ 247.05198 157.2
[M+H-H2O]+ 191.08608 142.4
[M+HCOO]- 253.08702 170.3
[M+CH3COO]- 267.10267 191.2
[M+Na-2H]- 229.06349 160.5
[M]+ 208.08827 147.2
[M]- 208.08937 147.2
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