CID 14853252

942996-03-4

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
C1=CC(=CC=C1C(CO)N)OC(F)(F)F
InChI
InChI=1S/C9H10F3NO2/c10-9(11,12)15-7-3-1-6(2-4-7)8(13)5-14/h1-4,8,14H,5,13H2
InChIKey
ZWWLHDJVEDSDGM-UHFFFAOYSA-N
Compound name
2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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

literature stripe

Patent stripe

patents stripe