CID 97048169

Rac-(2r,3s)-2-(3,4-difluorophenyl)oxolan-3-amine

Structural Information

Molecular Formula

C₁₀H₁₁F₂NO

SMILES

C1CO[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C10H11F2NO/c11-7-2-1-6(5-8(7)12)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2/t9-,10+/m1/s1

InChIKey

HZGZIFLIEJLQJI-ZJUUUORDSA-N

Compound name

(2S,3R)-2-(3,4-difluorophenyl)oxolan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.08087 Da
Monoisotopic Mass: 1.1
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]+	200.088146	139.3
[M+Na]+	222.070088	147.7
[M-H]-	198.073594	144.0
[M+NH4]+	217.114693	158.8
[M+K]+	238.044028	145.4
[M+H-H2O]+	182.078130	131.7
[M+HCOO]-	244.079071	160.5
[M+CH3COO]-	258.094721	185.6
[M+Na-2H]-	220.055536	142.0
[M]+	199.08032142	134.2
[M]-	199.08141858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.