CID 66979057

2,7-dibromo-9-n-octylcarbazole

Structural Information

Molecular Formula
C20H23Br2N
SMILES
CCCCCCCCN1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br
InChI
InChI=1S/C20H23Br2N/c1-2-3-4-5-6-7-12-23-19-13-15(21)8-10-17(19)18-11-9-16(22)14-20(18)23/h8-11,13-14H,2-7,12H2,1H3
InChIKey
GVRVHDUHAVNFOW-UHFFFAOYSA-N
Compound name
2,7-dibromo-9-octylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

435.0197 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.02698 182.6
[M+Na]+ 458.00892 193.7
[M-H]- 434.01242 189.5
[M+NH4]+ 453.05352 200.0
[M+K]+ 473.98286 177.2
[M+H-H2O]+ 418.01696 190.0
[M+HCOO]- 480.01790 196.6
[M+CH3COO]- 494.03355 194.6
[M+Na-2H]- 455.99437 186.5
[M]+ 435.01915 220.4
[M]- 435.02025 220.4
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