CID 11436522

133217-42-2

Structural Information

Molecular Formula

SMILES

CCSC(=O)OCI

InChI

InChI=1S/C4H7IO2S/c1-2-8-4(6)7-3-5/h2-3H2,1H3

InChIKey

LXZAPTGWIXFPEX-UHFFFAOYSA-N

Compound name

iodomethyl ethylsulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 245.92114 Da
Monoisotopic Mass: 2.2
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]+	246.92842	137.9
[M+Na]+	268.91036	138.7
[M-H]-	244.91386	132.0
[M+NH4]+	263.95496	155.1
[M+K]+	284.88430	144.1
[M+H-H2O]+	228.91840	129.6
[M+HCOO]-	290.91934	151.4
[M+CH3COO]-	304.93499	179.6
[M+Na-2H]-	266.89581	128.4
[M]+	245.92059	139.2
[M]-	245.92169	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe