CID 66514458

Rel-(2r)-2-amino-2-[3-(trifluoromethoxy)phenyl]ethan-1-ol hydrochloride

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 143.3
[M+Na]+ 244.05558 150.6
[M-H]- 220.05908 141.3
[M+NH4]+ 239.10018 160.4
[M+K]+ 260.02952 148.0
[M+H-H2O]+ 204.06362 135.1
[M+HCOO]- 266.06456 161.4
[M+CH3COO]- 280.08021 186.9
[M+Na-2H]- 242.04103 147.2
[M]+ 221.06581 138.0
[M]- 221.06691 138.0
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.