CID 155973620

3,3-difluoro-1-nitrosopyrrolidine

Structural Information

Molecular Formula

C₄H₆F₂N₂O

SMILES

C1CN(CC1(F)F)N=O

InChI

InChI=1S/C4H6F2N2O/c5-4(6)1-2-8(3-4)7-9/h1-3H2

InChIKey

BIIDYFKBOXALKI-UHFFFAOYSA-N

Compound name

3,3-difluoro-1-nitrosopyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 136.04482 Da
Monoisotopic Mass: 1.0
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]+	137.05210	119.1
[M+Na]+	159.03404	128.1
[M-H]-	135.03754	120.4
[M+NH4]+	154.07864	143.6
[M+K]+	175.00798	128.3
[M+H-H2O]+	119.04208	112.1
[M+HCOO]-	181.04302	142.7
[M+CH3COO]-	195.05867	174.4
[M+Na-2H]-	157.01949	126.0
[M]+	136.04427	115.7
[M]-	136.04537	115.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.