CID 16780338

3-[(2,6-difluorophenyl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁F₂N

SMILES

C1C(CN1)CC2=C(C=CC=C2F)F

InChI

InChI=1S/C10H11F2N/c11-9-2-1-3-10(12)8(9)4-7-5-13-6-7/h1-3,7,13H,4-6H2

InChIKey

MSJRWRPIDVGOMR-UHFFFAOYSA-N

Compound name

3-[(2,6-difluorophenyl)methyl]azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.08595 Da
Monoisotopic Mass: 2.0
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]+	184.09323	141.9
[M+Na]+	206.07517	149.1
[M+NH4]+	201.11977	145.6
[M+K]+	222.04911	144.0
[M-H]-	182.07867	139.6
[M+Na-2H]-	204.06062	145.5
[M]+	183.08540	140.9
[M]-	183.08650	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe