CID 6410610

Brn 5540603

Structural Information

Molecular Formula
C12H10ClN3S
SMILES
C1=CC(=NN=C1)C(C2=CC=C(C=C2)Cl)C(=S)N
InChI
InChI=1S/C12H10ClN3S/c13-9-5-3-8(4-6-9)11(12(14)17)10-2-1-7-15-16-10/h1-7,11H,(H2,14,17)
InChIKey
NNJLIKBVVMVGGR-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-pyridazin-3-ylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.02838 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.03566 155.2
[M+Na]+ 286.01760 169.5
[M+NH4]+ 281.06220 163.9
[M+K]+ 301.99154 160.2
[M-H]- 262.02110 159.4
[M+Na-2H]- 284.00305 164.1
[M]+ 263.02783 159.2
[M]- 263.02893 159.2
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.