CID 4383959

5-bromo-1-ethyl-1h-indole

Structural Information

Molecular Formula

C₁₀H₁₀BrN

SMILES

CCN1C=CC2=C1C=CC(=C2)Br

InChI

InChI=1S/C10H10BrN/c1-2-12-6-5-8-7-9(11)3-4-10(8)12/h3-7H,2H2,1H3

InChIKey

LNBZVSDFWQIXHC-UHFFFAOYSA-N

Compound name

5-bromo-1-ethylindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 222.99966 Da
Monoisotopic Mass: 3.0
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]+	224.00694	140.5
[M+Na]+	245.98888	154.9
[M-H]-	221.99238	147.3
[M+NH4]+	241.03348	164.6
[M+K]+	261.96282	143.6
[M+H-H2O]+	205.99692	141.0
[M+HCOO]-	267.99786	163.2
[M+CH3COO]-	282.01351	157.0
[M+Na-2H]-	243.97433	149.2
[M]+	222.99911	161.6
[M]-	223.00021	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe