CID 86070322

2-bromo-9-hexyl-9h-carbazole

Structural Information

Molecular Formula
C18H20BrN
SMILES
CCCCCCN1C2=CC=CC=C2C3=C1C=C(C=C3)Br
InChI
InChI=1S/C18H20BrN/c1-2-3-4-7-12-20-17-9-6-5-8-15(17)16-11-10-14(19)13-18(16)20/h5-6,8-11,13H,2-4,7,12H2,1H3
InChIKey
YGTIVQCXTOGVMV-UHFFFAOYSA-N
Compound name
2-bromo-9-hexylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

329.0779 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08518 174.7
[M+Na]+ 352.06712 187.6
[M-H]- 328.07062 181.6
[M+NH4]+ 347.11172 195.7
[M+K]+ 368.04106 174.2
[M+H-H2O]+ 312.07516 173.9
[M+HCOO]- 374.07610 194.4
[M+CH3COO]- 388.09175 188.5
[M+Na-2H]- 350.05257 180.6
[M]+ 329.07735 197.3
[M]- 329.07845 197.3
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