CID 215016

(2-chlorophenyl)methyl methyl 3-pyridinylcarbonimidodithioate

Structural Information

Molecular Formula
C14H13ClN2S2
SMILES
CSC(=NC1=CN=CC=C1)SCC2=CC=CC=C2Cl
InChI
InChI=1S/C14H13ClN2S2/c1-18-14(17-12-6-4-8-16-9-12)19-10-11-5-2-3-7-13(11)15/h2-9H,10H2,1H3
InChIKey
DCBYRNWJPOOCQW-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methylsulfanyl]-1-methylsulfanyl-N-pyridin-3-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.02087 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.02815 163.6
[M+Na]+ 331.01009 172.2
[M-H]- 307.01359 170.1
[M+NH4]+ 326.05469 179.3
[M+K]+ 346.98403 164.9
[M+H-H2O]+ 291.01813 156.5
[M+HCOO]- 353.01907 173.1
[M+CH3COO]- 367.03472 174.8
[M+Na-2H]- 328.99554 165.5
[M]+ 308.02032 168.0
[M]- 308.02142 168.0
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.