CID 2768460

213192-56-4

Structural Information

Molecular Formula
C10H10F3NO3
SMILES
C1=CC(=CC=C1C(CC(=O)O)N)OC(F)(F)F
InChI
InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKey
CMNPXOOSNAGXEE-UHFFFAOYSA-N
Compound name
3-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

249.06128 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06856 149.5
[M+Na]+ 272.05050 156.4
[M-H]- 248.05400 147.4
[M+NH4]+ 267.09510 165.3
[M+K]+ 288.02444 154.1
[M+H-H2O]+ 232.05854 141.1
[M+HCOO]- 294.05948 166.7
[M+CH3COO]- 308.07513 192.1
[M+Na-2H]- 270.03595 151.8
[M]+ 249.06073 144.7
[M]- 249.06183 144.7
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

patents stripe