CID 71757410

2-(2,2-difluoroethoxy)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C8H7F2NO3
SMILES
C1=CN=C(C=C1C(=O)O)OCC(F)F
InChI
InChI=1S/C8H7F2NO3/c9-6(10)4-14-7-3-5(8(12)13)1-2-11-7/h1-3,6H,4H2,(H,12,13)
InChIKey
GDMRWLQOPXWFJL-UHFFFAOYSA-N
Compound name
2-(2,2-difluoroethoxy)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

203.0394 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04668 137.3
[M+Na]+ 226.02862 145.3
[M-H]- 202.03212 135.8
[M+NH4]+ 221.07322 154.1
[M+K]+ 242.00256 143.7
[M+H-H2O]+ 186.03666 129.1
[M+HCOO]- 248.03760 156.2
[M+CH3COO]- 262.05325 181.8
[M+Na-2H]- 224.01407 141.3
[M]+ 203.03885 135.9
[M]- 203.03995 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