CID 3721531

2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H10F3NO3
SMILES
C1=CC(=CC=C1CC(C(=O)O)N)OC(F)(F)F
InChI
InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKey
YZXUCQCJZKJMIR-UHFFFAOYSA-N
Compound name
2-amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

149
Patents

249.06128 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06856 153.8
[M+Na]+ 272.05050 160.0
[M+NH4]+ 267.09510 157.4
[M+K]+ 288.02444 157.3
[M-H]- 248.05400 149.2
[M+Na-2H]- 270.03595 155.6
[M]+ 249.06073 152.7
[M]- 249.06183 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe