CID 84660832

1211540-34-9

Structural Information

Molecular Formula
C8H7F2NO2
SMILES
C1=CC(=NC=C1CC(=O)O)C(F)F
InChI
InChI=1S/C8H7F2NO2/c9-8(10)6-2-1-5(4-11-6)3-7(12)13/h1-2,4,8H,3H2,(H,12,13)
InChIKey
GFGQFWRGVQFCKE-UHFFFAOYSA-N
Compound name
2-[6-(difluoromethyl)pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04448 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05176 138.6
[M+Na]+ 210.03370 148.4
[M+NH4]+ 205.07830 144.2
[M+K]+ 226.00764 144.0
[M-H]- 186.03720 135.8
[M+Na-2H]- 208.01915 142.7
[M]+ 187.04393 138.8
[M]- 187.04503 138.8
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.