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 134.4
[M+Na]+ 210.03370 142.5
[M-H]- 186.03720 132.9
[M+NH4]+ 205.07830 152.0
[M+K]+ 226.00764 140.3
[M+H-H2O]+ 170.04174 126.4
[M+HCOO]- 232.04268 153.0
[M+CH3COO]- 246.05833 179.8
[M+Na-2H]- 208.01915 138.4
[M]+ 187.04393 131.6
[M]- 187.04503 131.6
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.