CID 12562845

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

Structural Information

Molecular Formula
C7H5ClN4
SMILES
C1=CN(N=C1)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C7H5ClN4/c8-6-2-3-7(11-10-6)12-5-1-4-9-12/h1-5H
InChIKey
KAGZGWUUTROZIC-UHFFFAOYSA-N
Compound name
3-chloro-6-pyrazol-1-ylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

180.02028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.027556 133.1
[M+Na]+ 203.009498 144.3
[M-H]- 179.013004 134.6
[M+NH4]+ 198.054103 150.1
[M+K]+ 218.983438 140.0
[M+H-H2O]+ 163.017540 123.8
[M+HCOO]- 225.018481 150.3
[M+CH3COO]- 239.034131 146.4
[M+Na-2H]- 200.994946 140.8
[M]+ 180.01973142 134.5
[M]- 180.02082858 134.5
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

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