CID 4715017

91348-45-7

Structural Information

Molecular Formula

C₁₁H₁₀BrNO₂

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)Br

InChI

InChI=1S/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3

InChIKey

DRJWEOYWZOGNQU-UHFFFAOYSA-N

Compound name

ethyl 3-bromo-1H-indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 137
Patents: 266.9895 Da
Monoisotopic Mass: 3.3
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]+	267.99678	152.4
[M+Na]+	289.97872	155.8
[M+NH4]+	285.02332	156.7
[M+K]+	305.95266	157.1
[M-H]-	265.98222	151.9
[M+Na-2H]-	287.96417	154.5
[M]+	266.98895	151.4
[M]-	266.99005	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe