CID 137949348

2138562-86-2

Structural Information

Molecular Formula
C8H6ClN3S
SMILES
CC1=CC(=C(N=N1)Cl)C2=NC=CS2
InChI
InChI=1S/C8H6ClN3S/c1-5-4-6(7(9)12-11-5)8-10-2-3-13-8/h2-4H,1H3
InChIKey
IGFRMFCNPDEXBT-UHFFFAOYSA-N
Compound name
2-(3-chloro-6-methylpyridazin-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.9971 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00438 141.6
[M+Na]+ 233.98632 157.1
[M+NH4]+ 229.03092 150.9
[M+K]+ 249.96026 149.1
[M-H]- 209.98982 144.7
[M+Na-2H]- 231.97177 150.0
[M]+ 210.99655 145.5
[M]- 210.99765 145.5
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.