CID 4207410

2,5-di(2-furyl)-1h-pyrrole

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

C1=COC(=C1)C2=CC=C(N2)C3=CC=CO3

InChI

InChI=1S/C12H9NO2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H

InChIKey

LVNCAKWMHAWCCM-UHFFFAOYSA-N

Compound name

2,5-bis(furan-2-yl)-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.06332 Da
Monoisotopic Mass: 2.2
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]+	200.070596	137.4
[M+Na]+	222.052538	147.5
[M-H]-	198.056044	147.4
[M+NH4]+	217.097143	157.1
[M+K]+	238.026478	146.6
[M+H-H2O]+	182.060580	132.3
[M+HCOO]-	244.061521	163.4
[M+CH3COO]-	258.077171	152.7
[M+Na-2H]-	220.037986	142.2
[M]+	199.06277142	140.5
[M]-	199.06386858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe