CID 66514458

1391531-55-7

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
C1=CC(=CC(=C1)OC(F)(F)F)[C@@H](CO)N
InChI
InChI=1S/C9H10F3NO2/c10-9(11,12)15-7-3-1-2-6(4-7)8(13)5-14/h1-4,8,14H,5,13H2/t8-/m1/s1
InChIKey
NZNJVYOKWZUJIQ-MRVPVSSYSA-N
Compound name
(2S)-2-amino-2-[3-(trifluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06636 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07364 147.4
[M+Na]+ 244.05558 154.6
[M+NH4]+ 239.10018 152.1
[M+K]+ 260.02952 150.9
[M-H]- 220.05908 143.7
[M+Na-2H]- 242.04103 150.4
[M]+ 221.06581 146.9
[M]- 221.06691 146.9
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.