CID 13052629

17285-06-2

Structural Information

Molecular Formula

C₆H₇ClN₂OS

SMILES

C1=CC(=NN=C1SCCO)Cl

InChI

InChI=1S/C6H7ClN2OS/c7-5-1-2-6(9-8-5)11-4-3-10/h1-2,10H,3-4H2

InChIKey

BZISGAOCRJTPAN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.99677 Da
Monoisotopic Mass: 1.0
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]+	191.00405	132.8
[M+Na]+	212.98599	142.9
[M-H]-	188.98949	132.9
[M+NH4]+	208.03059	150.8
[M+K]+	228.95993	138.4
[M+H-H2O]+	172.99403	127.2
[M+HCOO]-	234.99497	144.7
[M+CH3COO]-	249.01062	175.9
[M+Na-2H]-	210.97144	137.6
[M]+	189.99622	136.3
[M]-	189.99732	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.