CID 68562392

4-chloropyridine-2,5-dicarboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

200.98288 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe