CID 57469591

2305253-89-6

Structural Information

Molecular Formula

SMILES

C1C=C(CN1)F

InChI

InChI=1S/C4H6FN/c5-4-1-2-6-3-4/h1,6H,2-3H2

InChIKey

LUTBBSKDGQJPJM-UHFFFAOYSA-N

Compound name

3-fluoro-2,5-dihydro-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 87.04842 Da
Monoisotopic Mass: -0.2
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]+	88.055696	112.4
[M+Na]+	110.03764	120.4
[M-H]-	86.041144	112.0
[M+NH4]+	105.08224	135.8
[M+K]+	126.01158	119.1
[M+H-H2O]+	70.045680	106.3
[M+HCOO]-	132.04662	134.0
[M+CH3COO]-	146.06227	159.4
[M+Na-2H]-	108.02309	118.9
[M]+	87.047871	107.2
[M]-	87.048969	107.2

Literature stripe

literature stripe

Patent stripe

patents stripe