CID 25220798

1185092-07-2

Structural Information

Molecular Formula

C₁₀H₉FN₂O

SMILES

C1=CC(=CC=C1C2=NOC(=C2)CN)F

InChI

InChI=1S/C10H9FN2O/c11-8-3-1-7(2-4-8)10-5-9(6-12)14-13-10/h1-5H,6,12H2

InChIKey

YUGXVCNCLFEENW-UHFFFAOYSA-N

Compound name

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 192.06989 Da
Monoisotopic Mass: 1.0
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]+	193.07717	139.8
[M+Na]+	215.05911	152.4
[M+NH4]+	210.10371	147.8
[M+K]+	231.03305	148.0
[M-H]-	191.06261	143.6
[M+Na-2H]-	213.04456	147.1
[M]+	192.06934	142.5
[M]-	192.07044	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe