CID 16752909

3,6-dibromo-9-(2-ethylhexyl)carbazole

Structural Information

Molecular Formula
C20H23Br2N
SMILES
CCCCC(CC)CN1C2=C(C=C(C=C2)Br)C3=C1C=CC(=C3)Br
InChI
InChI=1S/C20H23Br2N/c1-3-5-6-14(4-2)13-23-19-9-7-15(21)11-17(19)18-12-16(22)8-10-20(18)23/h7-12,14H,3-6,13H2,1-2H3
InChIKey
ZDFZWZGIGKUBRA-UHFFFAOYSA-N
Compound name
3,6-dibromo-9-(2-ethylhexyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

435.0197 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.02698 183.9
[M+Na]+ 458.00892 194.7
[M-H]- 434.01242 190.9
[M+NH4]+ 453.05352 201.2
[M+K]+ 473.98286 178.4
[M+H-H2O]+ 418.01696 191.3
[M+HCOO]- 480.01790 197.1
[M+CH3COO]- 494.03355 195.6
[M+Na-2H]- 455.99437 186.8
[M]+ 435.01915 221.1
[M]- 435.02025 221.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe