CID 15546

Chloridazon

Structural Information

Molecular Formula
C10H8ClN3O
SMILES
C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl
InChI
InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
InChIKey
WYKYKTKDBLFHCY-UHFFFAOYSA-N
Compound name
5-amino-4-chloro-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

73
References

27598
Patents

221.03558 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04286 144.4
[M+Na]+ 244.02480 155.7
[M-H]- 220.02830 148.7
[M+NH4]+ 239.06940 160.7
[M+K]+ 259.99874 150.1
[M+H-H2O]+ 204.03284 136.6
[M+HCOO]- 266.03378 163.5
[M+CH3COO]- 280.04943 157.6
[M+Na-2H]- 242.01025 151.3
[M]+ 221.03503 145.3
[M]- 221.03613 145.3
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.