CID 9575377

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

Structural Information

Molecular Formula
C15H10Cl5N3S
SMILES
C1=CC(=C(C(=C1)Cl)C/C(=N/C(=S)NC2=C(C=CC(=C2Cl)Cl)Cl)/N)Cl
InChI
InChI=1S/C15H10Cl5N3S/c16-8-2-1-3-9(17)7(8)6-12(21)22-15(24)23-14-11(19)5-4-10(18)13(14)20/h1-5H,6H2,(H3,21,22,23,24)
InChIKey
QOKPZENQEJDNOR-UHFFFAOYSA-N
Compound name
(1Z)-1-[1-amino-2-(2,6-dichlorophenyl)ethylidene]-3-(2,3,6-trichlorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.9038 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.91108 193.7
[M+Na]+ 461.89302 201.2
[M-H]- 437.89652 196.1
[M+NH4]+ 456.93762 204.4
[M+K]+ 477.86696 194.2
[M+H-H2O]+ 421.90106 190.4
[M+HCOO]- 483.90200 188.8
[M+CH3COO]- 497.91765 230.4
[M+Na-2H]- 459.87847 188.5
[M]+ 438.90325 194.6
[M]- 438.90435 194.6
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.