CID 163783

108287-79-2

Structural Information

Molecular Formula
C8H9Cl3N2
SMILES
CC(C)(CCl)C1=CC(=NN=C1Cl)Cl
InChI
InChI=1S/C8H9Cl3N2/c1-8(2,4-9)5-3-6(10)12-13-7(5)11/h3H,4H2,1-2H3
InChIKey
RAQXMXAKHJIKEE-UHFFFAOYSA-N
Compound name
3,6-dichloro-4-(1-chloro-2-methylpropan-2-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

237.98312 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.99040 145.6
[M+Na]+ 260.97234 156.3
[M-H]- 236.97584 144.9
[M+NH4]+ 256.01694 162.2
[M+K]+ 276.94628 150.8
[M+H-H2O]+ 220.98038 140.2
[M+HCOO]- 282.98132 150.7
[M+CH3COO]- 296.99697 190.4
[M+Na-2H]- 258.95779 150.9
[M]+ 237.98257 148.6
[M]- 237.98367 148.6
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

patents stripe