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

12
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 124.6
[M+Na]+ 180.97753 134.9
[M-H]- 156.98103 124.6
[M+NH4]+ 176.02213 143.0
[M+K]+ 196.95147 131.8
[M+H-H2O]+ 140.98557 118.8
[M+HCOO]- 202.98651 141.4
[M+CH3COO]- 217.00216 171.0
[M+Na-2H]- 178.96298 132.2
[M]+ 157.98776 125.9
[M]- 157.98886 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