CID 102924348

2-(difluoromethyl)-5-iodo-1,3,4-oxadiazole

Structural Information

Molecular Formula

C₃HF₂IN₂O

SMILES

C1(=NN=C(O1)I)C(F)F

InChI

InChI=1S/C3HF2IN2O/c4-1(5)2-7-8-3(6)9-2/h1H

InChIKey

XKYKAZMBPKYXPK-UHFFFAOYSA-N

Compound name

2-(difluoromethyl)-5-iodo-1,3,4-oxadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.91017 Da
Monoisotopic Mass: 1.1
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]+	246.91745	123.8
[M+Na]+	268.89939	127.1
[M-H]-	244.90289	116.6
[M+NH4]+	263.94399	138.5
[M+K]+	284.87333	133.2
[M+H-H2O]+	228.90743	112.4
[M+HCOO]-	290.90837	139.6
[M+CH3COO]-	304.92402	180.1
[M+Na-2H]-	266.88484	118.4
[M]+	245.90962	120.5
[M]-	245.91072	120.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.