CID 4457468

Mls000721995

Structural Information

Molecular Formula

C₁₃H₆Cl₂FN₃O₂S

SMILES

C1=CC(=CC=C1C2=NN=C(O2)NC(=O)C3=C(SC(=C3)Cl)Cl)F

InChI

InChI=1S/C13H6Cl2FN3O2S/c14-9-5-8(10(15)22-9)11(20)17-13-19-18-12(21-13)6-1-3-7(16)4-2-6/h1-5H,(H,17,19,20)

InChIKey

CBPHONAGSPFBCY-UHFFFAOYSA-N

Compound name

2,5-dichloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 356.9542 Da
Monoisotopic Mass: 4.3
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]+	357.961476	174.9
[M+Na]+	379.943418	188.2
[M-H]-	355.946924	183.3
[M+NH4]+	374.988023	189.5
[M+K]+	395.917358	182.5
[M+H-H2O]+	339.951460	167.5
[M+HCOO]-	401.952401	185.3
[M+CH3COO]-	415.968051	187.2
[M+Na-2H]-	377.928866	173.6
[M]+	356.95365142	182.6
[M]-	356.95474858	182.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.