CID 84785115

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

Structural Information

Molecular Formula

C₁₀H₁₃F₂NO₂

SMILES

C1=CC(=CC=C1C(CO)N)OCC(F)F

InChI

InChI=1S/C10H13F2NO2/c11-10(12)6-15-8-3-1-7(2-4-8)9(13)5-14/h1-4,9-10,14H,5-6,13H2

InChIKey

FPKACVZCEAUVEL-UHFFFAOYSA-N

Compound name

2-amino-2-[4-(2,2-difluoroethoxy)phenyl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.09143 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]+	218.098706	145.7
[M+Na]+	240.080648	151.8
[M-H]-	216.084154	144.6
[M+NH4]+	235.125253	162.8
[M+K]+	256.054588	149.4
[M+H-H2O]+	200.088690	137.7
[M+HCOO]-	262.089631	165.1
[M+CH3COO]-	276.105281	188.3
[M+Na-2H]-	238.066096	147.6
[M]+	217.09088142	141.9
[M]-	217.09197858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.