CID 165905195

3,3-difluoro-1-nitrosoazetidine

Structural Information

Molecular Formula

C₃H₄F₂N₂O

SMILES

C1C(CN1N=O)(F)F

InChI

InChI=1S/C3H4F2N2O/c4-3(5)1-7(2-3)6-8/h1-2H2

InChIKey

QHCVILZINKOQAR-UHFFFAOYSA-N

Compound name

3,3-difluoro-1-nitrosoazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 122.02917 Da
Monoisotopic Mass: 0.6
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]+	123.03645	116.4
[M+Na]+	145.01839	124.8
[M-H]-	121.02189	118.2
[M+NH4]+	140.06299	133.3
[M+K]+	160.99233	128.2
[M+H-H2O]+	105.02643	105.1
[M+HCOO]-	167.02737	139.0
[M+CH3COO]-	181.04302	177.0
[M+Na-2H]-	143.00384	124.8
[M]+	122.02862	123.0
[M]-	122.02972	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.