CID 68584328

3,6-bis(chloromethyl)pyridazine

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
C1=CC(=NN=C1CCl)CCl
InChI
InChI=1S/C6H6Cl2N2/c7-3-5-1-2-6(4-8)10-9-5/h1-2H,3-4H2
InChIKey
CUKUKGYBNWLKHV-UHFFFAOYSA-N
Compound name
3,6-bis(chloromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

175.9908 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.998076 129.4
[M+Na]+ 198.980018 139.9
[M-H]- 174.983524 129.5
[M+NH4]+ 194.024623 148.2
[M+K]+ 214.953958 135.3
[M+H-H2O]+ 158.988060 123.5
[M+HCOO]- 220.989001 142.3
[M+CH3COO]- 235.004651 177.6
[M+Na-2H]- 196.965466 137.3
[M]+ 175.99025142 132.1
[M]- 175.99134858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe