CID 10844940

2,6-difluoro-nicotinic acid methyl ester

Structural Information

Molecular Formula
C7H5F2NO2
SMILES
COC(=O)C1=C(N=C(C=C1)F)F
InChI
InChI=1S/C7H5F2NO2/c1-12-7(11)4-2-3-5(8)10-6(4)9/h2-3H,1H3
InChIKey
FTFGRVXYRDOUJN-UHFFFAOYSA-N
Compound name
methyl 2,6-difluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

173.02884 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.036116 128.5
[M+Na]+ 196.018058 138.9
[M-H]- 172.021564 129.0
[M+NH4]+ 191.062663 147.9
[M+K]+ 211.991998 137.4
[M+H-H2O]+ 156.026100 120.7
[M+HCOO]- 218.027041 150.1
[M+CH3COO]- 232.042691 179.0
[M+Na-2H]- 194.003506 134.2
[M]+ 173.02829142 128.2
[M]- 173.02938858 128.2
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