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]+ 188.010896 131.1
[M+Na]+ 209.992838 141.8
[M-H]- 185.996344 132.9
[M+NH4]+ 205.037443 150.1
[M+K]+ 225.966778 138.4
[M+H-H2O]+ 170.000880 126.2
[M+HCOO]- 232.001821 149.1
[M+CH3COO]- 246.017471 176.1
[M+Na-2H]- 207.978286 137.0
[M]+ 187.00307142 133.9
[M]- 187.00416858 133.9
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.