CID 129918629

1256805-03-4

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
COC(=O)C1=CC(=O)C=C(N1)Cl
InChI
InChI=1S/C7H6ClNO3/c1-12-7(11)5-2-4(10)3-6(8)9-5/h2-3H,1H3,(H,9,10)
InChIKey
IMNCNGFMGNNUJY-UHFFFAOYSA-N
Compound name
methyl 6-chloro-4-oxo-1H-pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.00362 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 132.8
[M+Na]+ 209.99284 146.4
[M+NH4]+ 205.03744 140.1
[M+K]+ 225.96678 141.1
[M-H]- 185.99634 132.8
[M+Na-2H]- 207.97829 138.8
[M]+ 187.00307 134.8
[M]- 187.00417 134.8
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

No patent data available for this compound.