CID 6410612

81102-59-2

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 158.4
[M+Na]+ 319.97862 167.7
[M-H]- 295.98212 161.8
[M+NH4]+ 315.02322 172.3
[M+K]+ 335.95256 160.3
[M+H-H2O]+ 279.98666 151.7
[M+HCOO]- 341.98760 164.6
[M+CH3COO]- 356.00325 169.1
[M+Na-2H]- 317.96407 159.5
[M]+ 296.98885 160.3
[M]- 296.98995 160.3
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.