CID 268877

6-bromo-1,2,3,4-tetrahydrocarbazole

Structural Information

Molecular Formula

C₁₂H₁₂BrN

SMILES

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C12H12BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2

InChIKey

SGYJGCFMAGWFCF-UHFFFAOYSA-N

Compound name

6-bromo-2,3,4,9-tetrahydro-1H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 249.0153 Da
Monoisotopic Mass: 4.0
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]+	250.022576	150.2
[M+Na]+	272.004518	162.5
[M-H]-	248.008024	155.8
[M+NH4]+	267.049123	173.2
[M+K]+	287.978458	149.9
[M+H-H2O]+	232.012560	150.7
[M+HCOO]-	294.013501	167.9
[M+CH3COO]-	308.029151	164.6
[M+Na-2H]-	269.989966	157.8
[M]+	249.01475142	166.3
[M]-	249.01584858	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe