CID 6481031

Akos009130459

Structural Information

Molecular Formula

C₁₁H₈ClN₃O₂

SMILES

C1=CC(=C(C=C1Cl)O)C(=O)NC2=NC=CN=C2

InChI

InChI=1S/C11H8ClN3O2/c12-7-1-2-8(9(16)5-7)11(17)15-10-6-13-3-4-14-10/h1-6,16H,(H,14,15,17)

InChIKey

FNZRSIFTWYYUOS-UHFFFAOYSA-N

Compound name

4-chloro-2-hydroxy-N-pyrazin-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 249.0305 Da
Monoisotopic Mass: 1.8
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]+	250.03778	150.7
[M+Na]+	272.01972	159.9
[M-H]-	248.02322	153.8
[M+NH4]+	267.06432	164.9
[M+K]+	287.99366	154.6
[M+H-H2O]+	232.02776	142.8
[M+HCOO]-	294.02870	168.0
[M+CH3COO]-	308.04435	190.3
[M+Na-2H]-	270.00517	157.4
[M]+	249.02995	151.5
[M]-	249.03105	151.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.