CID 26369846

3-chloro-6-(4-iodo-1h-pyrazol-1-yl)pyridazine

Structural Information

Molecular Formula
C7H4ClIN4
SMILES
C1=CC(=NN=C1N2C=C(C=N2)I)Cl
InChI
InChI=1S/C7H4ClIN4/c8-6-1-2-7(12-11-6)13-4-5(9)3-10-13/h1-4H
InChIKey
ITGAMZMKSFYVNO-UHFFFAOYSA-N
Compound name
3-chloro-6-(4-iodopyrazol-1-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.91693 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.92421 135.7
[M+Na]+ 328.90615 140.4
[M-H]- 304.90965 130.5
[M+NH4]+ 323.95075 147.5
[M+K]+ 344.88009 141.7
[M+H-H2O]+ 288.91419 123.3
[M+HCOO]- 350.91513 148.2
[M+CH3COO]- 364.93078 144.9
[M+Na-2H]- 326.89160 131.4
[M]+ 305.91638 135.1
[M]- 305.91748 135.1
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.