CID 11401420

127437-44-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

200.98288 Da
Monoisotopic Mass

1.2
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

literature stripe

Patent stripe

patents stripe