CID 16769974

5-(2-chloro-6-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula

C₉H₅Cl₂FN₂O

SMILES

C1=CC(=C(C(=C1)Cl)C2=NC(=NO2)CCl)F

InChI

InChI=1S/C9H5Cl2FN2O/c10-4-7-13-9(15-14-7)8-5(11)2-1-3-6(8)12/h1-3H,4H2

InChIKey

HVJUVYHNDLTKFM-UHFFFAOYSA-N

Compound name

5-(2-chloro-6-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 245.9763 Da
Monoisotopic Mass: 3.0
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]+	246.983576	145.7
[M+Na]+	268.965518	158.2
[M-H]-	244.969024	148.9
[M+NH4]+	264.010123	162.4
[M+K]+	284.939458	153.3
[M+H-H2O]+	228.973560	137.8
[M+HCOO]-	290.974501	157.9
[M+CH3COO]-	304.990151	158.9
[M+Na-2H]-	266.950966	150.2
[M]+	245.97575142	149.7
[M]-	245.97684858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe