CID 129319320

3,6-dibromo-9-(3,4-dimethylphenyl)-9h-carbazole

Structural Information

Molecular Formula
C20H15Br2N
SMILES
CC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)C
InChI
InChI=1S/C20H15Br2N/c1-12-3-6-16(9-13(12)2)23-19-7-4-14(21)10-17(19)18-11-15(22)5-8-20(18)23/h3-11H,1-2H3
InChIKey
LHMUFCSKYWXATD-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-(3,4-dimethylphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.95712 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.96440 178.9
[M+Na]+ 449.94634 191.8
[M-H]- 425.94984 189.3
[M+NH4]+ 444.99094 196.6
[M+K]+ 465.92028 176.3
[M+H-H2O]+ 409.95438 186.7
[M+HCOO]- 471.95532 194.0
[M+CH3COO]- 485.97097 192.1
[M+Na-2H]- 447.93179 183.3
[M]+ 426.95657 215.3
[M]- 426.95767 215.3
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.