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]+ 201.006146 135.9
[M+Na]+ 222.988088 145.4
[M-H]- 198.991594 137.2
[M+NH4]+ 218.032693 153.5
[M+K]+ 238.962028 142.1
[M+H-H2O]+ 182.996130 130.8
[M+HCOO]- 244.997071 153.4
[M+CH3COO]- 259.012721 182.0
[M+Na-2H]- 220.973536 139.8
[M]+ 199.99832142 136.4
[M]- 199.99941858 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