CID 43753720

2-(2,4-difluorophenyl)-2-(methylamino)acetic acid

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
CNC(C1=C(C=C(C=C1)F)F)C(=O)O
InChI
InChI=1S/C9H9F2NO2/c1-12-8(9(13)14)6-3-2-5(10)4-7(6)11/h2-4,8,12H,1H3,(H,13,14)
InChIKey
ITTLCXKIZYAWOY-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06013 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.067406 138.7
[M+Na]+ 224.049348 146.4
[M-H]- 200.052854 138.8
[M+NH4]+ 219.093953 157.0
[M+K]+ 240.023288 144.1
[M+H-H2O]+ 184.057390 131.3
[M+HCOO]- 246.058331 159.3
[M+CH3COO]- 260.073981 186.3
[M+Na-2H]- 222.034796 141.6
[M]+ 201.05958142 135.3
[M]- 201.06067858 135.3
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.