CID 165764342

2-amino-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethan-1-ol

Structural Information

Molecular Formula
C10H12F3NO2
SMILES
C1=CC(=CC=C1C(CO)N)OCC(F)(F)F
InChI
InChI=1S/C10H12F3NO2/c11-10(12,13)6-16-8-3-1-7(2-4-8)9(14)5-15/h1-4,9,15H,5-6,14H2
InChIKey
KTCHBRYHQVRUBO-UHFFFAOYSA-N
Compound name
2-amino-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08202 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.08930 148.0
[M+Na]+ 258.07124 154.9
[M-H]- 234.07474 145.8
[M+NH4]+ 253.11584 164.5
[M+K]+ 274.04518 152.1
[M+H-H2O]+ 218.07928 139.6
[M+HCOO]- 280.08022 165.8
[M+CH3COO]- 294.09587 190.0
[M+Na-2H]- 256.05669 151.3
[M]+ 235.08147 143.0
[M]- 235.08257 143.0
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.