CID 79382

4-chloro-1,2-dihydropyridazine-3,6-dione

Structural Information

Molecular Formula
C4H3ClN2O2
SMILES
C1=C(C(=O)NNC1=O)Cl
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)6-7-4(2)9/h1H,(H,6,8)(H,7,9)
InChIKey
WNPMDHKYJTZOFF-UHFFFAOYSA-N
Compound name
4-chloro-1,2-dihydropyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

145.98831 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.995586 120.7
[M+Na]+ 168.977528 132.5
[M-H]- 144.981034 119.8
[M+NH4]+ 164.022133 139.3
[M+K]+ 184.951468 127.6
[M+H-H2O]+ 128.985570 115.6
[M+HCOO]- 190.986511 137.4
[M+CH3COO]- 205.002161 165.0
[M+Na-2H]- 166.962976 128.7
[M]+ 145.98776142 120.0
[M]- 145.98885858 120.0
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