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

200
Patents

284.12012 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.127396 178.9
[M+Na]+ 307.109338 187.6
[M-H]- 283.112844 183.4
[M+NH4]+ 302.153943 191.0
[M+K]+ 323.083278 177.6
[M+H-H2O]+ 267.117380 164.6
[M+HCOO]- 329.118321 193.3
[M+CH3COO]- 343.133971 187.2
[M+Na-2H]- 305.094786 183.1
[M]+ 284.11957142 170.2
[M]- 284.12066858 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