CID 93341

Diclomezine

Structural Information

Molecular Formula
C11H8Cl2N2O
SMILES
CC1=C(C=C(C=C1Cl)C2=NNC(=O)C=C2)Cl
InChI
InChI=1S/C11H8Cl2N2O/c1-6-8(12)4-7(5-9(6)13)10-2-3-11(16)15-14-10/h2-5H,1H3,(H,15,16)
InChIKey
UWQMKVBQKFHLCE-UHFFFAOYSA-N
Compound name
3-(3,5-dichloro-4-methylphenyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

25935
Patents

254.00137 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00865 149.0
[M+Na]+ 276.99059 161.4
[M-H]- 252.99409 151.8
[M+NH4]+ 272.03519 164.5
[M+K]+ 292.96453 154.1
[M+H-H2O]+ 236.99863 142.3
[M+HCOO]- 298.99957 160.6
[M+CH3COO]- 313.01522 161.4
[M+Na-2H]- 274.97604 154.0
[M]+ 254.00082 151.5
[M]- 254.00192 151.5
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.