CID 63851695

5-(2,2-difluoroethoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H7F2NO3
SMILES
C1=C(C=NC=C1OCC(F)F)C(=O)O
InChI
InChI=1S/C8H7F2NO3/c9-7(10)4-14-6-1-5(8(12)13)2-11-3-6/h1-3,7H,4H2,(H,12,13)
InChIKey
PNBVXEXBHVLQOZ-UHFFFAOYSA-N
Compound name
5-(2,2-difluoroethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

203.0394 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.046676 137.3
[M+Na]+ 226.028618 145.3
[M-H]- 202.032124 135.8
[M+NH4]+ 221.073223 154.1
[M+K]+ 242.002558 143.7
[M+H-H2O]+ 186.036660 129.1
[M+HCOO]- 248.037601 156.2
[M+CH3COO]- 262.053251 181.8
[M+Na-2H]- 224.014066 141.3
[M]+ 203.03885142 135.9
[M]- 203.03994858 135.9
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