CID 129319316

3,6-dibromo-9-heptyl-9h-carbazole

Structural Information

Molecular Formula
C19H21Br2N
SMILES
CCCCCCCN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C19H21Br2N/c1-2-3-4-5-6-11-22-18-9-7-14(20)12-16(18)17-13-15(21)8-10-19(17)22/h7-10,12-13H,2-6,11H2,1H3
InChIKey
DTRIORAMBSBROF-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-heptylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

421.00406 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.01134 180.1
[M+Na]+ 443.99328 176.3
[M+NH4]+ 439.03788 182.4
[M+K]+ 459.96722 180.8
[M-H]- 419.99678 181.5
[M+Na-2H]- 441.97873 180.3
[M]+ 421.00351 179.0
[M]- 421.00461 179.0
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