CID 89492331

3,6-dibromo-9-(triphenylen-2-yl)carbazole

Structural Information

Molecular Formula
C30H17Br2N
SMILES
C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C7=CC=CC=C27
InChI
InChI=1S/C30H17Br2N/c31-18-9-13-29-27(15-18)28-16-19(32)10-14-30(28)33(29)20-11-12-25-23-7-2-1-5-21(23)22-6-3-4-8-24(22)26(25)17-20/h1-17H
InChIKey
SXVSFEPJEUWLCL-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-triphenylen-2-ylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

548.9728 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.98008 214.4
[M+Na]+ 571.96202 225.8
[M-H]- 547.96552 225.9
[M+NH4]+ 567.00662 228.6
[M+K]+ 587.93596 212.0
[M+H-H2O]+ 531.97006 219.9
[M+HCOO]- 593.97100 226.6
[M+CH3COO]- 607.98665 224.3
[M+Na-2H]- 569.94747 219.0
[M]+ 548.97225 249.4
[M]- 548.97335 249.4
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