CID 13768626

3-chloro-4-(1h-pyrrol-1-yl)aniline

Structural Information

Molecular Formula

C₁₀H₉ClN₂

SMILES

C1=CN(C=C1)C2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C10H9ClN2/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13/h1-7H,12H2

InChIKey

AGOZLKLLISCKPS-UHFFFAOYSA-N

Compound name

3-chloro-4-pyrrol-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.04543 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]+	193.05271	138.5
[M+Na]+	215.03465	153.0
[M+NH4]+	210.07925	148.3
[M+K]+	231.00859	146.9
[M-H]-	191.03815	143.1
[M+Na-2H]-	213.02010	147.8
[M]+	192.04488	142.2
[M]-	192.04598	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe