CID 57203670

1-(2,6-dibromophenyl)-1h-pyrrole

Structural Information

Molecular Formula

C₁₀H₇Br₂N

SMILES

C1=CN(C=C1)C2=C(C=CC=C2Br)Br

InChI

InChI=1S/C10H7Br2N/c11-8-4-3-5-9(12)10(8)13-6-1-2-7-13/h1-7H

InChIKey

DFSHJVXKRFBSOG-UHFFFAOYSA-N

Compound name

1-(2,6-dibromophenyl)pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 298.89453 Da
Monoisotopic Mass: 3.7
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]+	299.90181	155.0
[M+Na]+	321.88375	151.1
[M+NH4]+	316.92835	157.6
[M+K]+	337.85769	157.2
[M-H]-	297.88725	156.8
[M+Na-2H]-	319.86920	157.5
[M]+	298.89398	153.9
[M]-	298.89508	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe