CID 63384203

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

Structural Information

Molecular Formula

C₃HF₂IN₂S

SMILES

C1(=NN=C(S1)I)C(F)F

InChI

InChI=1S/C3HF2IN2S/c4-1(5)2-7-8-3(6)9-2/h1H

InChIKey

RLFPNBSGXHWQKA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 261.88733 Da
Monoisotopic Mass: 1.7
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]+	262.89461	124.9
[M+Na]+	284.87655	128.8
[M-H]-	260.88005	117.7
[M+NH4]+	279.92115	141.0
[M+K]+	300.85049	132.9
[M+H-H2O]+	244.88459	113.9
[M+HCOO]-	306.88553	136.6
[M+CH3COO]-	320.90118	181.9
[M+Na-2H]-	282.86200	115.6
[M]+	261.88678	122.1
[M]-	261.88788	122.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.