CID 25936

Brn 0813542

Structural Information

Molecular Formula
C11H6Cl2N2O3
SMILES
C1=CC(=C(C=C1C(=O)OC2=NNC(=O)C=C2)Cl)Cl
InChI
InChI=1S/C11H6Cl2N2O3/c12-7-2-1-6(5-8(7)13)11(17)18-10-4-3-9(16)14-15-10/h1-5H,(H,14,16)
InChIKey
QPZAPFIGCNRQLL-UHFFFAOYSA-N
Compound name
(6-oxo-1H-pyridazin-3-yl) 3,4-dichlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.97556 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98284 152.5
[M+Na]+ 306.96478 163.8
[M-H]- 282.96828 155.4
[M+NH4]+ 302.00938 166.4
[M+K]+ 322.93872 157.7
[M+H-H2O]+ 266.97282 145.5
[M+HCOO]- 328.97376 164.0
[M+CH3COO]- 342.98941 192.5
[M+Na-2H]- 304.95023 157.4
[M]+ 283.97501 156.2
[M]- 283.97611 156.2
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.