CID 61326007

1795488-66-2

Structural Information

Molecular Formula

C₉H₇ClFN₃O

SMILES

C1=CC(=C(C=C1Cl)F)C2=NC(=NO2)CN

InChI

InChI=1S/C9H7ClFN3O/c10-5-1-2-6(7(11)3-5)9-13-8(4-12)14-15-9/h1-3H,4,12H2

InChIKey

NLAAQJOBFHNDBT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.02617 Da
Monoisotopic Mass: 1.4
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]+	228.033446	144.9
[M+Na]+	250.015388	156.4
[M-H]-	226.018894	148.6
[M+NH4]+	245.059993	161.5
[M+K]+	265.989328	152.3
[M+H-H2O]+	210.023430	136.6
[M+HCOO]-	272.024371	163.0
[M+CH3COO]-	286.040021	158.2
[M+Na-2H]-	248.000836	149.7
[M]+	227.02562142	146.4
[M]-	227.02671858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.