CID 56773887

5-carbamoyl-3-chloropyridine-2-carboxylic acid

Structural Information

Molecular Formula
C7H5ClN2O3
SMILES
C1=C(C=NC(=C1Cl)C(=O)O)C(=O)N
InChI
InChI=1S/C7H5ClN2O3/c8-4-1-3(6(9)11)2-10-5(4)7(12)13/h1-2H,(H2,9,11)(H,12,13)
InChIKey
FCQBJEGVSJXPRI-UHFFFAOYSA-N
Compound name
5-carbamoyl-3-chloropyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

199.99887 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00615 136.8
[M+Na]+ 222.98809 148.3
[M+NH4]+ 218.03269 143.2
[M+K]+ 238.96203 144.5
[M-H]- 198.99159 136.6
[M+Na-2H]- 220.97354 141.6
[M]+ 199.99832 138.3
[M]- 199.99942 138.3
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