CID 4225899

82173-01-1

Structural Information

Molecular Formula

C₁₀H₈FN₃O

SMILES

C1=CC=C(C(=C1)NC(=O)C2=NC=CN2)F

InChI

InChI=1S/C10H8FN3O/c11-7-3-1-2-4-8(7)14-10(15)9-12-5-6-13-9/h1-6H,(H,12,13)(H,14,15)

InChIKey

HRYSZBHYLUETBH-UHFFFAOYSA-N

Compound name

N-(2-fluorophenyl)-1H-imidazole-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 205.06514 Da
Monoisotopic Mass: 1.3
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]+	206.07242	140.7
[M+Na]+	228.05436	148.7
[M-H]-	204.05786	142.6
[M+NH4]+	223.09896	157.5
[M+K]+	244.02830	144.7
[M+H-H2O]+	188.06240	131.8
[M+HCOO]-	250.06334	162.6
[M+CH3COO]-	264.07899	182.7
[M+Na-2H]-	226.03981	146.0
[M]+	205.06459	137.0
[M]-	205.06569	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe