CID 84794175

2241138-24-7

Structural Information

Molecular Formula
C10H11F2NO3
SMILES
C1=CC(=CC=C1C(C(=O)O)N)OCC(F)F
InChI
InChI=1S/C10H11F2NO3/c11-8(12)5-16-7-3-1-6(2-4-7)9(13)10(14)15/h1-4,8-9H,5,13H2,(H,14,15)
InChIKey
PSZSOOOUJSNJBM-UHFFFAOYSA-N
Compound name
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.0707 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07798 147.5
[M+Na]+ 254.05992 153.5
[M-H]- 230.06342 146.5
[M+NH4]+ 249.10452 163.8
[M+K]+ 270.03386 151.7
[M+H-H2O]+ 214.06796 139.5
[M+HCOO]- 276.06890 166.3
[M+CH3COO]- 290.08455 190.6
[M+Na-2H]- 252.04537 148.2
[M]+ 231.07015 143.8
[M]- 231.07125 143.8
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.