CID 135381565

Pirepemat

Structural Information

Molecular Formula

C₁₁H₁₃F₂NO

SMILES

CO[C@@]1(CCNC1)C2=C(C(=CC=C2)F)F

InChI

InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1

InChIKey

LJNFYMMXCXGFCP-LLVKDONJSA-N

Compound name

(3S)-3-(2,3-difluorophenyl)-3-methoxypyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 25
Patents: 213.09653 Da
Monoisotopic Mass: 1.3
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]+	214.10381	143.4
[M+Na]+	236.08575	151.7
[M-H]-	212.08925	145.1
[M+NH4]+	231.13035	163.9
[M+K]+	252.05969	148.0
[M+H-H2O]+	196.09379	135.4
[M+HCOO]-	258.09473	162.1
[M+CH3COO]-	272.11038	182.8
[M+Na-2H]-	234.07120	146.7
[M]+	213.09598	138.3
[M]-	213.09708	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe