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

26104
Patents

254.00137 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.008646 149.0
[M+Na]+ 276.990588 161.4
[M-H]- 252.994094 151.8
[M+NH4]+ 272.035193 164.5
[M+K]+ 292.964528 154.1
[M+H-H2O]+ 236.998630 142.3
[M+HCOO]- 298.999571 160.6
[M+CH3COO]- 313.015221 161.4
[M+Na-2H]- 274.976036 154.0
[M]+ 254.00082142 151.5
[M]- 254.00191858 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

literature stripe

Patent stripe

patents stripe