CID 121997

696-06-0

Structural Information

Molecular Formula

C₄H₅FN₂O₂

SMILES

C1C(C(=O)NC(=O)N1)F

InChI

InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h2H,1H2,(H2,6,7,8,9)

InChIKey

RAIRJKWTBBDDAR-UHFFFAOYSA-N

Compound name

5-fluoro-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 66
References: 149
Patents: 132.03351 Da
Monoisotopic Mass: -0.7
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]+	133.04079	123.7
[M+Na]+	155.02273	131.8
[M-H]-	131.02623	120.5
[M+NH4]+	150.06733	141.5
[M+K]+	170.99667	129.1
[M+H-H2O]+	115.03077	116.9
[M+HCOO]-	177.03171	139.6
[M+CH3COO]-	191.04736	164.8
[M+Na-2H]-	153.00818	128.4
[M]+	132.03296	115.8
[M]-	132.03406	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe