CID 3038358

34763-31-0

Structural Information

Molecular Formula
C20H15Cl3N2S2
SMILES
CC(C1=C(C=C(C=C1)Cl)Cl)(C2=CC=CC=C2Cl)SC(=S)NC3=CN=CC=C3
InChI
InChI=1S/C20H15Cl3N2S2/c1-20(15-6-2-3-7-17(15)22,16-9-8-13(21)11-18(16)23)27-19(26)25-14-5-4-10-24-12-14/h2-12H,1H3,(H,25,26)
InChIKey
ITGYXKVQDLLNFE-UHFFFAOYSA-N
Compound name
[1-(2-chlorophenyl)-1-(2,4-dichlorophenyl)ethyl] N-pyridin-3-ylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.9742 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.98148 193.4
[M+Na]+ 474.96342 201.9
[M-H]- 450.96692 200.0
[M+NH4]+ 470.00802 203.4
[M+K]+ 490.93736 192.3
[M+H-H2O]+ 434.97146 187.0
[M+HCOO]- 496.97240 189.8
[M+CH3COO]- 510.98805 201.2
[M+Na-2H]- 472.94887 193.3
[M]+ 451.97365 197.7
[M]- 451.97475 197.7
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.