CID 16225168

3-bromo-4h-furo[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula

C₇H₄BrNO₃

SMILES

C1=C(NC2=C1OC=C2Br)C(=O)O

InChI

InChI=1S/C7H4BrNO3/c8-3-2-12-5-1-4(7(10)11)9-6(3)5/h1-2,9H,(H,10,11)

InChIKey

GRTOFBWMOOTRLU-UHFFFAOYSA-N

Compound name

3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 228.93745 Da
Monoisotopic Mass: 1.8
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]+	229.94473	145.1
[M+Na]+	251.92667	146.8
[M+NH4]+	246.97127	148.7
[M+K]+	267.90061	151.8
[M-H]-	227.93017	144.0
[M+Na-2H]-	249.91212	144.9
[M]+	228.93690	143.6
[M]-	228.93800	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe