CID 119009954

1805670-73-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

187.00362 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 131.1
[M+Na]+ 209.99284 141.8
[M-H]- 185.99634 132.9
[M+NH4]+ 205.03744 150.1
[M+K]+ 225.96678 138.4
[M+H-H2O]+ 170.00088 126.2
[M+HCOO]- 232.00182 149.1
[M+CH3COO]- 246.01747 176.1
[M+Na-2H]- 207.97829 137.0
[M]+ 187.00307 133.9
[M]- 187.00417 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

patents stripe