CID 13770009

107650-22-6

Structural Information

Molecular Formula

C₁₀H₈BrNO₂

SMILES

COC(=O)C1=C2C=CNC2=CC(=C1)Br

InChI

InChI=1S/C10H8BrNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3

InChIKey

KPFSQBKJYHWFME-UHFFFAOYSA-N

Compound name

methyl 6-bromo-1H-indole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 188
Patents: 252.97385 Da
Monoisotopic Mass: 2.6
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]+	253.98113	147.8
[M+Na]+	275.96307	151.4
[M+NH4]+	271.00767	152.3
[M+K]+	291.93701	152.9
[M-H]-	251.96657	147.3
[M+Na-2H]-	273.94852	150.2
[M]+	252.97330	146.9
[M]-	252.97440	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe