CID 19792063

5-chloropyridazine-3-carboxylic acid

Structural Information

Molecular Formula
C5H3ClN2O2
SMILES
C1=C(C=NN=C1C(=O)O)Cl
InChI
InChI=1S/C5H3ClN2O2/c6-3-1-4(5(9)10)8-7-2-3/h1-2H,(H,9,10)
InChIKey
SXGAJPAGCWQZSD-UHFFFAOYSA-N
Compound name
5-chloropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

157.98831 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.995586 124.6
[M+Na]+ 180.977528 134.9
[M-H]- 156.981034 124.6
[M+NH4]+ 176.022133 143.0
[M+K]+ 196.951468 131.8
[M+H-H2O]+ 140.985570 118.8
[M+HCOO]- 202.986511 141.4
[M+CH3COO]- 217.002161 171.0
[M+Na-2H]- 178.962976 132.2
[M]+ 157.98776142 125.9
[M]- 157.98885858 125.9
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