CID 719784

96989-50-3

Structural Information

Molecular Formula

C₁₁H₈N₂O₂S

SMILES

C1=CC=NC(=C1)OC(=S)OC2=CC=CC=N2

InChI

InChI=1S/C11H8N2O2S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H

InChIKey

IKYOVSVBLHGFMA-UHFFFAOYSA-N

Compound name

dipyridin-2-yloxymethanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1142
Patents: 232.03065 Da
Monoisotopic Mass: 2.8
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]+	233.03793	147.8
[M+Na]+	255.01987	156.3
[M-H]-	231.02337	152.1
[M+NH4]+	250.06447	163.2
[M+K]+	270.99381	152.6
[M+H-H2O]+	215.02791	139.4
[M+HCOO]-	277.02885	165.2
[M+CH3COO]-	291.04450	160.0
[M+Na-2H]-	253.00532	153.3
[M]+	232.03010	150.3
[M]-	232.03120	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe