CID 69673506

Methyl 6-(difluoromethyl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
COC(=O)C1=CC=CC(=N1)C(F)F
InChI
InChI=1S/C8H7F2NO2/c1-13-8(12)6-4-2-3-5(11-6)7(9)10/h2-4,7H,1H3
InChIKey
YGMCFQRXTSGTNU-UHFFFAOYSA-N
Compound name
methyl 6-(difluoromethyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

187.04448 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 133.9
[M+Na]+ 210.03370 142.6
[M-H]- 186.03720 133.9
[M+NH4]+ 205.07830 152.3
[M+K]+ 226.00764 141.3
[M+H-H2O]+ 170.04174 125.7
[M+HCOO]- 232.04268 154.1
[M+CH3COO]- 246.05833 181.7
[M+Na-2H]- 208.01915 138.4
[M]+ 187.04393 132.9
[M]- 187.04503 132.9
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