CID 11738992

9-(6-bromohexyl)-9h-carbazole

Structural Information

Molecular Formula
C18H20BrN
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCCCCCBr
InChI
InChI=1S/C18H20BrN/c19-13-7-1-2-8-14-20-17-11-5-3-9-15(17)16-10-4-6-12-18(16)20/h3-6,9-12H,1-2,7-8,13-14H2
InChIKey
HFNNZEMVTJAKRC-UHFFFAOYSA-N
Compound name
9-(6-bromohexyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

137
Patents

329.0779 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08518 174.7
[M+Na]+ 352.06712 186.7
[M-H]- 328.07062 181.2
[M+NH4]+ 347.11172 195.4
[M+K]+ 368.04106 173.3
[M+H-H2O]+ 312.07516 173.7
[M+HCOO]- 374.07610 194.4
[M+CH3COO]- 388.09175 188.1
[M+Na-2H]- 350.05257 181.3
[M]+ 329.07735 196.9
[M]- 329.07845 196.9
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