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 133.2
[M+Na]+ 223.97210 143.0
[M-H]- 199.97560 133.7
[M+NH4]+ 219.01670 150.6
[M+K]+ 239.94604 139.8
[M+H-H2O]+ 183.98014 128.5
[M+HCOO]- 245.98108 149.0
[M+CH3COO]- 259.99673 177.3
[M+Na-2H]- 221.95755 137.5
[M]+ 200.98233 135.0
[M]- 200.98343 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