CID 5324110

3-phenyl-1h-pyrrole

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

C1=CC=C(C=C1)C2=CNC=C2

InChI

InChI=1S/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H

InChIKey

LJDRAKFYYGCAQC-UHFFFAOYSA-N

Compound name

3-phenyl-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1936
Patents: 143.0735 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]+	144.08078	127.6
[M+Na]+	166.06272	135.6
[M-H]-	142.06622	131.8
[M+NH4]+	161.10732	148.6
[M+K]+	182.03666	131.9
[M+H-H2O]+	126.07076	120.9
[M+HCOO]-	188.07170	151.4
[M+CH3COO]-	202.08735	141.5
[M+Na-2H]-	164.04817	134.9
[M]+	143.07295	124.7
[M]-	143.07405	124.7

Literature stripe

literature stripe

Patent stripe

patents stripe