CID 59557273

741293-42-5

Structural Information

Molecular Formula
C22H19Br2N
SMILES
CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br
InChI
InChI=1S/C22H19Br2N/c1-22(2,3)14-4-8-17(9-5-14)25-20-10-6-15(23)12-18(20)19-13-16(24)7-11-21(19)25/h4-13H,1-3H3
InChIKey
JIWBCHGVZITSFJ-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-(4-tert-butylphenyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

454.98843 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.99571 191.2
[M+Na]+ 477.97765 203.0
[M-H]- 453.98115 201.2
[M+NH4]+ 473.02225 207.8
[M+K]+ 493.95159 187.5
[M+H-H2O]+ 437.98569 198.9
[M+HCOO]- 499.98663 204.3
[M+CH3COO]- 514.00228 203.2
[M+Na-2H]- 475.96310 195.4
[M]+ 454.98788 227.2
[M]- 454.98898 227.2
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