CID 71428395

3,6-dibromo-9-(4-n-octyloxyphenyl)-9h-carbazole

Structural Information

Molecular Formula
C26H27Br2NO
SMILES
CCCCCCCCOC1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C26H27Br2NO/c1-2-3-4-5-6-7-16-30-22-12-10-21(11-13-22)29-25-14-8-19(27)17-23(25)24-18-20(28)9-15-26(24)29/h8-15,17-18H,2-7,16H2,1H3
InChIKey
PHKYODAUSDAEKX-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-(4-octoxyphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.04596 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.05324 206.1
[M+Na]+ 550.03518 215.6
[M-H]- 526.03868 215.0
[M+NH4]+ 545.07978 220.0
[M+K]+ 566.00912 199.6
[M+H-H2O]+ 510.04322 212.4
[M+HCOO]- 572.04416 219.3
[M+CH3COO]- 586.05981 216.3
[M+Na-2H]- 548.02063 207.9
[M]+ 527.04541 244.3
[M]- 527.04651 244.3
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.