CID 68106047

946491-48-1

Structural Information

Molecular Formula
C26H27Br2NO
SMILES
CCCCC(CC)COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C26H27Br2NO/c1-3-5-6-18(4-2)17-30-22-11-9-21(10-12-22)29-25-13-7-19(27)15-23(25)24-16-20(28)8-14-26(24)29/h7-16,18H,3-6,17H2,1-2H3
InChIKey
ACUVALSRGHGNLZ-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-[4-(2-ethylhexoxy)phenyl]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

527.04596 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.05324 207.1
[M+Na]+ 550.03518 216.3
[M-H]- 526.03868 216.1
[M+NH4]+ 545.07978 220.9
[M+K]+ 566.00912 200.7
[M+H-H2O]+ 510.04322 213.5
[M+HCOO]- 572.04416 219.5
[M+CH3COO]- 586.05981 217.2
[M+Na-2H]- 548.02063 208.0
[M]+ 527.04541 244.9
[M]- 527.04651 244.9
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

patents stripe