CID 21780772

3-chloropyridazine-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

157.98831 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.99559 125.9
[M+Na]+ 180.97753 139.6
[M+NH4]+ 176.02213 133.5
[M+K]+ 196.95147 134.4
[M-H]- 156.98103 125.8
[M+Na-2H]- 178.96298 132.8
[M]+ 157.98776 128.0
[M]- 157.98886 128.0
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