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

6
Patents

200.98288 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.99016 135.7
[M+Na]+ 223.97210 147.8
[M+NH4]+ 219.01670 141.9
[M+K]+ 239.94604 144.2
[M-H]- 199.97560 134.4
[M+Na-2H]- 221.95755 140.2
[M]+ 200.98233 137.0
[M]- 200.98343 137.0
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