CID 90158075

4-(benzyloxy)-3,3-difluoropyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃F₂NO

SMILES

C1C(C(CN1)(F)F)OCC2=CC=CC=C2

InChI

InChI=1S/C11H13F2NO/c12-11(13)8-14-6-10(11)15-7-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2

InChIKey

OWMUBBZNERXZDK-UHFFFAOYSA-N

Compound name

3,3-difluoro-4-phenylmethoxypyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 213.09653 Da
Monoisotopic Mass: 1.7
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]+	214.103806	143.9
[M+Na]+	236.085748	151.3
[M-H]-	212.089254	145.1
[M+NH4]+	231.130353	164.0
[M+K]+	252.059688	147.5
[M+H-H2O]+	196.093790	135.5
[M+HCOO]-	258.094731	162.6
[M+CH3COO]-	272.110381	181.7
[M+Na-2H]-	234.071196	147.8
[M]+	213.09598142	138.4
[M]-	213.09707858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe