CID 131852839

6,6'-dibromo-9,9'-diphenyl-3,3'-bicarbazole

Structural Information

Molecular Formula
C36H22Br2N2
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)Br)C7=CC=CC=C7)C8=C2C=CC(=C8)Br
InChI
InChI=1S/C36H22Br2N2/c37-25-13-17-35-31(21-25)29-19-23(11-15-33(29)39(35)27-7-3-1-4-8-27)24-12-16-34-30(20-24)32-22-26(38)14-18-36(32)40(34)28-9-5-2-6-10-28/h1-22H
InChIKey
VTIPHPNQFUCDAW-UHFFFAOYSA-N
Compound name
3-bromo-6-(6-bromo-9-phenylcarbazol-3-yl)-9-phenylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

640.01495 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.02223 238.1
[M+Na]+ 663.00417 248.5
[M-H]- 639.00767 252.7
[M+NH4]+ 658.04877 248.7
[M+K]+ 678.97811 235.5
[M+H-H2O]+ 623.01221 243.5
[M+HCOO]- 685.01315 250.4
[M+CH3COO]- 699.02880 246.5
[M+Na-2H]- 660.98962 237.7
[M]+ 640.01440 272.4
[M]- 640.01550 272.4
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