CID 2761501

4-(trifluoromethyl)-l-phenylalanine

Structural Information

Molecular Formula
C10H10F3NO2
SMILES
C1=CC(=CC=C1C[C@@H](C(=O)O)N)C(F)(F)F
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1
InChIKey
CRFFPDBJLGAGQL-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3197
Patents

233.06636 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.07364 151.2
[M+Na]+ 256.05558 157.9
[M+NH4]+ 251.10018 155.4
[M+K]+ 272.02952 154.7
[M-H]- 232.05908 147.1
[M+Na-2H]- 254.04103 153.5
[M]+ 233.06581 150.4
[M]- 233.06691 150.4
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