CID 215017

(2,6-dichlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C14H12Cl2N2S2
SMILES
CSC(=NC1=CN=CC=C1)SCC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C14H12Cl2N2S2/c1-19-14(18-10-4-3-7-17-8-10)20-9-11-12(15)5-2-6-13(11)16/h2-8H,9H2,1H3
InChIKey
WHVRGQMKPMJAFH-UHFFFAOYSA-N
Compound name
1-[(2,6-dichlorophenyl)methylsulfanyl]-1-methylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.9819 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98918 168.5
[M+Na]+ 364.97112 177.8
[M-H]- 340.97462 174.7
[M+NH4]+ 360.01572 183.5
[M+K]+ 380.94506 169.8
[M+H-H2O]+ 324.97916 162.3
[M+HCOO]- 386.98010 173.0
[M+CH3COO]- 400.99575 179.2
[M+Na-2H]- 362.95657 169.0
[M]+ 341.98135 174.2
[M]- 341.98245 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.