CID 15606338

9-(4-ethynylphenyl)carbazole

Structural Information

Molecular Formula
C20H13N
SMILES
C#CC1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C20H13N/c1-2-15-11-13-16(14-12-15)21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h1,3-14H
InChIKey
JJIQKIUIIVFHAN-UHFFFAOYSA-N
Compound name
9-(4-ethynylphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

267.1048 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11208 169.9
[M+Na]+ 290.09402 183.9
[M-H]- 266.09752 174.4
[M+NH4]+ 285.13862 186.5
[M+K]+ 306.06796 171.6
[M+H-H2O]+ 250.10206 155.5
[M+HCOO]- 312.10300 186.5
[M+CH3COO]- 326.11865 180.5
[M+Na-2H]- 288.07947 174.1
[M]+ 267.10425 165.5
[M]- 267.10535 165.5
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