CID 719784

O,o-dipyridin-2-yl carbonothioate

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

1111
Patents

232.03065 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.037926 147.8
[M+Na]+ 255.019868 156.3
[M-H]- 231.023374 152.1
[M+NH4]+ 250.064473 163.2
[M+K]+ 270.993808 152.6
[M+H-H2O]+ 215.027910 139.4
[M+HCOO]- 277.028851 165.2
[M+CH3COO]- 291.044501 160.0
[M+Na-2H]- 253.005316 153.3
[M]+ 232.03010142 150.3
[M]- 232.03119858 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe