CID 129319314

2,7-dibromo-9-heptyl-9h-carbazole

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 178.4
[M+Na]+ 443.99328 189.9
[M-H]- 419.99678 185.6
[M+NH4]+ 439.03788 196.3
[M+K]+ 459.96722 173.6
[M+H-H2O]+ 404.00132 186.0
[M+HCOO]- 466.00226 192.8
[M+CH3COO]- 480.01791 190.8
[M+Na-2H]- 441.97873 182.9
[M]+ 421.00351 216.0
[M]- 421.00461 216.0
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

No patent data available for this compound.