CID 251028

Perchloropyridazine

Structural Information

Molecular Formula
C4Cl4N2
SMILES
C1(=C(C(=NN=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C4Cl4N2/c5-1-2(6)4(8)10-9-3(1)7
InChIKey
XTKMAPVHLBPKPE-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrachloropyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

215.88156 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.888836 133.0
[M+Na]+ 238.870778 144.8
[M-H]- 214.874284 130.9
[M+NH4]+ 233.915383 149.8
[M+K]+ 254.844718 139.9
[M+H-H2O]+ 198.878820 128.5
[M+HCOO]- 260.879761 135.0
[M+CH3COO]- 274.895411 144.6
[M+Na-2H]- 236.856226 137.6
[M]+ 215.88101142 134.1
[M]- 215.88210858 134.1
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