CID 76223666

4-amino-3-chloro-3h-pyridazin-6-one

Structural Information

Molecular Formula
C4H4ClN3O
SMILES
C1=C(C(N=NC1=O)Cl)N
InChI
InChI=1S/C4H4ClN3O/c5-4-2(6)1-3(9)7-8-4/h1,4H,6H2
InChIKey
RQIAJGKQKGTXSN-UHFFFAOYSA-N
Compound name
4-amino-3-chloro-3H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.00429 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.01157 124.1
[M+Na]+ 167.99351 134.7
[M-H]- 143.99701 125.0
[M+NH4]+ 163.03811 143.5
[M+K]+ 183.96745 131.5
[M+H-H2O]+ 128.00155 118.2
[M+HCOO]- 190.00249 142.4
[M+CH3COO]- 204.01814 173.3
[M+Na-2H]- 165.97896 131.4
[M]+ 145.00374 123.3
[M]- 145.00484 123.3
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.