CID 3019407

83846-79-1

Structural Information

Molecular Formula

C₁₀H₁₁FN₂O₂

SMILES

C1=CC2=C(C=C1F)NC(=O)N2CCCO

InChI

InChI=1S/C10H11FN2O2/c11-7-2-3-9-8(6-7)12-10(15)13(9)4-1-5-14/h2-3,6,14H,1,4-5H2,(H,12,15)

InChIKey

IVGODYPSWUHEOM-UHFFFAOYSA-N

Compound name

6-fluoro-3-(3-hydroxypropyl)-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.08046 Da
Monoisotopic Mass: 0.5
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]+	211.087736	141.3
[M+Na]+	233.069678	152.9
[M-H]-	209.073184	140.3
[M+NH4]+	228.114283	159.7
[M+K]+	249.043618	147.8
[M+H-H2O]+	193.077720	134.1
[M+HCOO]-	255.078661	161.6
[M+CH3COO]-	269.094311	181.2
[M+Na-2H]-	231.055126	146.9
[M]+	210.07991142	142.2
[M]-	210.08100858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.