CID 6410612

Brn 5558164

Structural Information

Molecular Formula
C12H9Cl2N3S
SMILES
C1=CC(=NN=C1)C(C2=CC(=C(C=C2)Cl)Cl)C(=S)N
InChI
InChI=1S/C12H9Cl2N3S/c13-8-4-3-7(6-9(8)14)11(12(15)18)10-2-1-5-16-17-10/h1-6,11H,(H2,15,18)
InChIKey
TTZCZTLSFFRMRV-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)-2-pyridazin-3-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.9894 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.99668 163.2
[M+Na]+ 319.97862 178.2
[M+NH4]+ 315.02322 171.8
[M+K]+ 335.95256 168.3
[M-H]- 295.98212 167.1
[M+Na-2H]- 317.96407 171.5
[M]+ 296.98885 167.5
[M]- 296.98995 167.5
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.