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 135.9
[M+Na]+ 222.98809 145.4
[M-H]- 198.99159 137.2
[M+NH4]+ 218.03269 153.5
[M+K]+ 238.96203 142.1
[M+H-H2O]+ 182.99613 130.8
[M+HCOO]- 244.99707 153.4
[M+CH3COO]- 259.01272 182.0
[M+Na-2H]- 220.97354 139.8
[M]+ 199.99832 136.4
[M]- 199.99942 136.4
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