CID 22032957

1-benzyl-6-bromo-1h-indole

Structural Information

Molecular Formula

C₁₅H₁₂BrN

SMILES

C1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)Br

InChI

InChI=1S/C15H12BrN/c16-14-7-6-13-8-9-17(15(13)10-14)11-12-4-2-1-3-5-12/h1-10H,11H2

InChIKey

UQGNSLYYFIRZOM-UHFFFAOYSA-N

Compound name

1-benzyl-6-bromoindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 285.01532 Da
Monoisotopic Mass: 4.3
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]+	286.02260	158.2
[M+Na]+	308.00454	171.5
[M-H]-	284.00804	167.7
[M+NH4]+	303.04914	179.4
[M+K]+	323.97848	159.1
[M+H-H2O]+	268.01258	157.6
[M+HCOO]-	330.01352	180.6
[M+CH3COO]-	344.02917	173.5
[M+Na-2H]-	305.98999	166.2
[M]+	285.01477	178.5
[M]-	285.01587	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe