CID 6410613

Brn 5544258

Structural Information

Molecular Formula
C13H12ClN3S
SMILES
CC1=NN=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=S)N
InChI
InChI=1S/C13H12ClN3S/c1-8-2-7-11(17-16-8)12(13(15)18)9-3-5-10(14)6-4-9/h2-7,12H,1H3,(H2,15,18)
InChIKey
OHFKQAGDSUQYQJ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-(6-methylpyridazin-3-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.04404 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.05132 160.2
[M+Na]+ 300.03326 174.7
[M+NH4]+ 295.07786 168.7
[M+K]+ 316.00720 165.3
[M-H]- 276.03676 164.4
[M+Na-2H]- 298.01871 168.5
[M]+ 277.04349 164.2
[M]- 277.04459 164.2
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.