CID 6991941

4,6-dichloro-3-(3-chlorophenyl)pyridazine

Structural Information

Molecular Formula
C10H5Cl3N2
SMILES
C1=CC(=CC(=C1)Cl)C2=NN=C(C=C2Cl)Cl
InChI
InChI=1S/C10H5Cl3N2/c11-7-3-1-2-6(4-7)10-8(12)5-9(13)14-15-10/h1-5H
InChIKey
XVJPVYRLVRCSKD-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-(3-chlorophenyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.95184 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.959116 147.3
[M+Na]+ 280.941058 159.1
[M-H]- 256.944564 149.5
[M+NH4]+ 275.985663 162.9
[M+K]+ 296.914998 152.3
[M+H-H2O]+ 240.949100 140.3
[M+HCOO]- 302.950041 154.6
[M+CH3COO]- 316.965691 159.2
[M+Na-2H]- 278.926506 152.9
[M]+ 257.95129142 150.1
[M]- 257.95238858 150.1
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.