CID 53401077

3,6-dibromo-9-(p-tolyl)-9h-carbazole

Structural Information

Molecular Formula
C19H13Br2N
SMILES
CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C19H13Br2N/c1-12-2-6-15(7-3-12)22-18-8-4-13(20)10-16(18)17-11-14(21)5-9-19(17)22/h2-11H,1H3
InChIKey
ZLCMXHALWTYHOY-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-(4-methylphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

412.94147 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.94875 174.9
[M+Na]+ 435.93069 187.6
[M-H]- 411.93419 185.2
[M+NH4]+ 430.97529 192.8
[M+K]+ 451.90463 172.2
[M+H-H2O]+ 395.93873 182.9
[M+HCOO]- 457.93967 190.3
[M+CH3COO]- 471.95532 188.2
[M+Na-2H]- 433.91614 180.4
[M]+ 412.94092 210.8
[M]- 412.94202 210.8
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