CID 121552647

Methyl 6-chloro-1-(difluoromethyl)-2-oxo-1,2-dihydropyridine-4-carboxylate

Structural Information

Molecular Formula
C8H6ClF2NO3
SMILES
COC(=O)C1=CC(=O)N(C(=C1)Cl)C(F)F
InChI
InChI=1S/C8H6ClF2NO3/c1-15-7(14)4-2-5(9)12(8(10)11)6(13)3-4/h2-3,8H,1H3
InChIKey
BXTPYJDGLGGFEP-UHFFFAOYSA-N
Compound name
methyl 2-chloro-1-(difluoromethyl)-6-oxopyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.00043 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.00771 138.2
[M+Na]+ 259.98965 149.7
[M-H]- 235.99315 138.8
[M+NH4]+ 255.03425 156.0
[M+K]+ 275.96359 146.5
[M+H-H2O]+ 219.99769 131.3
[M+HCOO]- 281.99863 154.3
[M+CH3COO]- 296.01428 189.2
[M+Na-2H]- 257.97510 141.2
[M]+ 236.99988 140.8
[M]- 237.00098 140.8
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.