CID 162727634

2-(3,4-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)acetic acid

Structural Information

Molecular Formula
C6H4Cl2N2O3
SMILES
C1=C(C(=NN(C1=O)CC(=O)O)Cl)Cl
InChI
InChI=1S/C6H4Cl2N2O3/c7-3-1-4(11)10(2-5(12)13)9-6(3)8/h1H,2H2,(H,12,13)
InChIKey
FEKSLTSBEQXJTM-UHFFFAOYSA-N
Compound name
2-(3,4-dichloro-6-oxopyridazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

221.9599 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96718 134.6
[M+Na]+ 244.94912 146.7
[M-H]- 220.95262 134.6
[M+NH4]+ 239.99372 151.3
[M+K]+ 260.92306 142.1
[M+H-H2O]+ 204.95716 129.7
[M+HCOO]- 266.95810 146.3
[M+CH3COO]- 280.97375 182.5
[M+Na-2H]- 242.93457 139.6
[M]+ 221.95935 138.7
[M]- 221.96045 138.7
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

patents stripe