CID 385886

Nsc677286

Structural Information

Molecular Formula

C₁₀H₉FN₄O₂

SMILES

C1=CC(=CC=C1NNC2=CC(=O)NC(=O)N2)F

InChI

InChI=1S/C10H9FN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)

InChIKey

KPQKXOVIWTWESX-UHFFFAOYSA-N

Compound name

6-[2-(4-fluorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 236.07095 Da
Monoisotopic Mass: 1.2
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]+	237.07823	147.0
[M+Na]+	259.06017	156.1
[M-H]-	235.06367	148.1
[M+NH4]+	254.10477	160.1
[M+K]+	275.03411	150.1
[M+H-H2O]+	219.06821	137.7
[M+HCOO]-	281.06915	168.8
[M+CH3COO]-	295.08480	189.5
[M+Na-2H]-	257.04562	154.5
[M]+	236.07040	142.2
[M]-	236.07150	142.2

Literature stripe

literature stripe

Patent stripe

patents stripe