CID 3018733

2-(6-chloropyridazin-3-yl)phenol

Structural Information

Molecular Formula

C₁₀H₇ClN₂O

SMILES

C1=CC=C(C(=C1)C2=NN=C(C=C2)Cl)O

InChI

InChI=1S/C10H7ClN2O/c11-10-6-5-8(12-13-10)7-3-1-2-4-9(7)14/h1-6,14H

InChIKey

FRWYZVRPWFWYFU-UHFFFAOYSA-N

Compound name

2-(6-chloropyridazin-3-yl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 206.02469 Da
Monoisotopic Mass: 2.1
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]+	207.03197	140.8
[M+Na]+	229.01391	157.7
[M+NH4]+	224.05851	149.8
[M+K]+	244.98785	149.7
[M-H]-	205.01741	144.4
[M+Na-2H]-	226.99936	151.3
[M]+	206.02414	144.7
[M]-	206.02524	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe