CID 63383981

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

Structural Information

Molecular Formula

C₄H₅IN₂OS

SMILES

COCC1=NN=C(S1)I

InChI

InChI=1S/C4H5IN2OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3

InChIKey

LXENKLRLORYFTQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.91673 Da
Monoisotopic Mass: 0.7
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]+	256.92401	132.2
[M+Na]+	278.90595	135.8
[M-H]-	254.90945	127.3
[M+NH4]+	273.95055	148.7
[M+K]+	294.87989	140.4
[M+H-H2O]+	238.91399	122.6
[M+HCOO]-	300.91493	146.6
[M+CH3COO]-	314.93058	180.7
[M+Na-2H]-	276.89140	124.1
[M]+	255.91618	133.5
[M]-	255.91728	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.