CID 2782225

2-tert-butyl-4,5-dichloro-2,3-dihydropyridazin-3-one

Structural Information

Molecular Formula
C8H10Cl2N2O
SMILES
CC(C)(C)N1C(=O)C(=C(C=N1)Cl)Cl
InChI
InChI=1S/C8H10Cl2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3
InChIKey
ANFVZRTXGLHTNI-UHFFFAOYSA-N
Compound name
2-tert-butyl-4,5-dichloropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

287
Patents

220.01701 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02429 141.5
[M+Na]+ 243.00623 153.8
[M-H]- 219.00973 142.7
[M+NH4]+ 238.05083 159.5
[M+K]+ 258.98017 149.0
[M+H-H2O]+ 203.01427 136.4
[M+HCOO]- 265.01521 152.7
[M+CH3COO]- 279.03086 186.6
[M+Na-2H]- 240.99168 147.5
[M]+ 220.01646 145.9
[M]- 220.01756 145.9
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