CID 59559613

Ethyl 5-bromo-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula

C₇H₈BrNO₂

SMILES

CCOC(=O)C1=CC=C(N1)Br

InChI

InChI=1S/C7H8BrNO2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2H2,1H3

InChIKey

MAWSPHLRAHWQKY-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-1H-pyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 216.97385 Da
Monoisotopic Mass: 2.3
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]+	217.98113	142.8
[M+Na]+	239.96307	144.1
[M+NH4]+	235.00767	146.5
[M+K]+	255.93701	146.6
[M-H]-	215.96657	141.1
[M+Na-2H]-	237.94852	143.9
[M]+	216.97330	141.0
[M]-	216.97440	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe