CID 2800359

Maybridge3_000367

Structural Information

Molecular Formula

C₁₁H₉Cl₂N₃O

SMILES

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

InChI

InChI=1S/C11H9Cl2N3O/c12-8-6-11(16-3-1-2-4-16)9(13)5-10(8)14-7-15-17/h1-7,17H,(H,14,15)

InChIKey

LPZAXHCPQIASRA-UHFFFAOYSA-N

Compound name

N'-(2,5-dichloro-4-pyrrol-1-ylphenyl)-N-hydroxymethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 269.01227 Da
Monoisotopic Mass: 2.6
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]+	270.019546	157.8
[M+Na]+	292.001488	168.0
[M-H]-	268.004994	163.0
[M+NH4]+	287.046093	175.6
[M+K]+	307.975428	161.4
[M+H-H2O]+	252.009530	151.1
[M+HCOO]-	314.010471	175.1
[M+CH3COO]-	328.026121	197.5
[M+Na-2H]-	289.986936	162.0
[M]+	269.01172142	160.6
[M]-	269.01281858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.