CID 69630630

628337-00-8

Structural Information

Molecular Formula

C₂₀H₂₄BrN

SMILES

CCCCCCCCN1C2=C(C=C(C=C2)Br)C3=CC=CC=C31

InChI

InChI=1S/C20H24BrN/c1-2-3-4-5-6-9-14-22-19-11-8-7-10-17(19)18-15-16(21)12-13-20(18)22/h7-8,10-13,15H,2-6,9,14H2,1H3

InChIKey

OQZRYECWBHQQAB-UHFFFAOYSA-N

Compound name

3-bromo-9-octylcarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 357.10922 Da
Monoisotopic Mass: 7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.11650	184.2
[M+Na]+	380.09844	196.1
[M-H]-	356.10194	190.6
[M+NH4]+	375.14304	204.0
[M+K]+	396.07238	182.2
[M+H-H2O]+	340.10648	182.9
[M+HCOO]-	402.10742	203.1
[M+CH3COO]-	416.12307	197.0
[M+Na-2H]-	378.08389	188.9
[M]+	357.10867	207.3
[M]-	357.10977	207.3

Literature stripe

literature stripe

Patent stripe

patents stripe