CID 304010

4-chloro-2,6-pyridinedicarboxylic acid

Structural Information

Molecular Formula
C7H4ClNO4
SMILES
C1=C(C=C(N=C1C(=O)O)C(=O)O)Cl
InChI
InChI=1S/C7H4ClNO4/c8-3-1-4(6(10)11)9-5(2-3)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKey
IYUMNONNHYADBU-UHFFFAOYSA-N
Compound name
4-chloropyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

125
Patents

200.98288 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.990156 133.2
[M+Na]+ 223.972098 143.0
[M-H]- 199.975604 133.7
[M+NH4]+ 219.016703 150.6
[M+K]+ 239.946038 139.8
[M+H-H2O]+ 183.980140 128.5
[M+HCOO]- 245.981081 149.0
[M+CH3COO]- 259.996731 177.3
[M+Na-2H]- 221.957546 137.5
[M]+ 200.98233142 135.0
[M]- 200.98342858 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe