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

32
Patents

187.99887 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.006146 130.7
[M+Na]+ 210.988088 141.7
[M-H]- 186.991594 131.1
[M+NH4]+ 206.032693 148.1
[M+K]+ 226.962028 138.4
[M+H-H2O]+ 170.996130 124.9
[M+HCOO]- 232.997071 147.6
[M+CH3COO]- 247.012721 176.5
[M+Na-2H]- 208.973536 137.1
[M]+ 187.99832142 133.6
[M]- 187.99941858 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