CID 5121297

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

Structural Information

Molecular Formula
C6H5ClN2O3
SMILES
C1=CC(=O)N(N=C1Cl)CC(=O)O
InChI
InChI=1S/C6H5ClN2O3/c7-4-1-2-5(10)9(8-4)3-6(11)12/h1-2H,3H2,(H,11,12)
InChIKey
NJHHVYWIVRTAAP-UHFFFAOYSA-N
Compound name
2-(3-chloro-6-oxopyridazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

187.99887 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.00615 130.7
[M+Na]+ 210.98809 141.7
[M-H]- 186.99159 131.1
[M+NH4]+ 206.03269 148.1
[M+K]+ 226.96203 138.4
[M+H-H2O]+ 170.99613 124.9
[M+HCOO]- 232.99707 147.6
[M+CH3COO]- 247.01272 176.5
[M+Na-2H]- 208.97354 137.1
[M]+ 187.99832 133.6
[M]- 187.99942 133.6
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