CID 54775949

1245622-60-9

Structural Information

Molecular Formula

C₉H₁₀F₃NO

SMILES

C1=CC=C(C(=C1)C(CO)N)C(F)(F)F

InChI

InChI=1S/C9H10F3NO/c10-9(11,12)7-4-2-1-3-6(7)8(13)5-14/h1-4,8,14H,5,13H2

InChIKey

OIRSHTSIVLNGMS-UHFFFAOYSA-N

Compound name

2-amino-2-[2-(trifluoromethyl)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 205.07144 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.07872	144.7
[M+Na]+	228.06066	152.3
[M+NH4]+	223.10526	149.9
[M+K]+	244.03460	148.1
[M-H]-	204.06416	141.5
[M+Na-2H]-	226.04611	148.1
[M]+	205.07089	144.4
[M]-	205.07199	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe