CID 43753703

2-(2,6-difluorophenyl)-2-(methylamino)acetic acid hydrochloride

Structural Information

Molecular Formula
C9H9F2NO2
SMILES
CNC(C1=C(C=CC=C1F)F)C(=O)O
InChI
InChI=1S/C9H9F2NO2/c1-12-8(9(13)14)7-5(10)3-2-4-6(7)11/h2-4,8,12H,1H3,(H,13,14)
InChIKey
NYAGSXGFFKMQOZ-UHFFFAOYSA-N
Compound name
2-(2,6-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]+ 202.06741 138.7
[M+Na]+ 224.04935 146.4
[M-H]- 200.05285 138.8
[M+NH4]+ 219.09395 157.0
[M+K]+ 240.02329 144.1
[M+H-H2O]+ 184.05739 131.3
[M+HCOO]- 246.05833 159.3
[M+CH3COO]- 260.07398 186.3
[M+Na-2H]- 222.03480 141.6
[M]+ 201.05958 135.3
[M]- 201.06068 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.