CID 330422

501649-79-2

Structural Information

Molecular Formula
C11H6Cl2N2O3
SMILES
C1=CC(=CC(=C1)N2C(=O)C(=C(C=N2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H6Cl2N2O3/c12-8-5-14-15(10(16)9(8)13)7-3-1-2-6(4-7)11(17)18/h1-5H,(H,17,18)
InChIKey
UCDIWDQNHGPZLN-UHFFFAOYSA-N
Compound name
3-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.97556 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98284 152.1
[M+Na]+ 306.96478 164.3
[M-H]- 282.96828 155.3
[M+NH4]+ 302.00938 166.2
[M+K]+ 322.93872 158.2
[M+H-H2O]+ 266.97282 145.4
[M+HCOO]- 328.97376 163.6
[M+CH3COO]- 342.98941 194.4
[M+Na-2H]- 304.95023 156.3
[M]+ 283.97501 156.3
[M]- 283.97611 156.3
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

No patent data available for this compound.