CID 3963619

2-phenylethynyl-dibenzothiophene

Structural Information

Molecular Formula
C20H12S
SMILES
C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC4=CC=CC=C43
InChI
InChI=1S/C20H12S/c1-2-6-15(7-3-1)10-11-16-12-13-20-18(14-16)17-8-4-5-9-19(17)21-20/h1-9,12-14H
InChIKey
OIWCNQHCVQQSEV-UHFFFAOYSA-N
Compound name
2-(2-phenylethynyl)dibenzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.06598 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07326 163.7
[M+Na]+ 307.05520 180.9
[M+NH4]+ 302.09980 171.9
[M+K]+ 323.02914 166.7
[M-H]- 283.05870 162.7
[M+Na-2H]- 305.04065 170.8
[M]+ 284.06543 166.0
[M]- 284.06653 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.