CID 137058

1,1,3-triphenyl-2-propyn-1-ol

Structural Information

Molecular Formula
C21H16O
SMILES
C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H16O/c22-21(19-12-6-2-7-13-19,20-14-8-3-9-15-20)17-16-18-10-4-1-5-11-18/h1-15,22H
InChIKey
VWRQCJRTHKUVNF-UHFFFAOYSA-N
Compound name
1,1,3-triphenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

192
Patents

284.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12740 178.9
[M+Na]+ 307.10934 187.6
[M-H]- 283.11284 183.4
[M+NH4]+ 302.15394 191.0
[M+K]+ 323.08328 177.6
[M+H-H2O]+ 267.11738 164.6
[M+HCOO]- 329.11832 193.3
[M+CH3COO]- 343.13397 187.2
[M+Na-2H]- 305.09479 183.1
[M]+ 284.11957 170.2
[M]- 284.12067 170.2
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