CID 9575376

1-(2,5-dichlorophenyl)-3-[2-(2,6-dichlorophenyl)ethanimidoyl]thiourea

Structural Information

Molecular Formula
C15H11Cl4N3S
SMILES
C1=CC(=C(C(=C1)Cl)C/C(=N/C(=S)NC2=C(C=CC(=C2)Cl)Cl)/N)Cl
InChI
InChI=1S/C15H11Cl4N3S/c16-8-4-5-12(19)13(6-8)21-15(23)22-14(20)7-9-10(17)2-1-3-11(9)18/h1-6H,7H2,(H3,20,21,22,23)
InChIKey
HBTQPRJTGBMGAY-UHFFFAOYSA-N
Compound name
(1Z)-1-[1-amino-2-(2,6-dichlorophenyl)ethylidene]-3-(2,5-dichlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.94278 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.95006 187.3
[M+Na]+ 427.93200 195.3
[M-H]- 403.93550 191.7
[M+NH4]+ 422.97660 199.9
[M+K]+ 443.90594 187.4
[M+H-H2O]+ 387.94004 183.2
[M+HCOO]- 449.94098 187.9
[M+CH3COO]- 463.95663 224.9
[M+Na-2H]- 425.91745 184.3
[M]+ 404.94223 189.6
[M]- 404.94333 189.6
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

No patent data available for this compound.