CID 554404

Methyl chloromethanethioate

Structural Information

Molecular Formula

SMILES

COC(=S)Cl

InChI

InChI=1S/C2H3ClOS/c1-4-2(3)5/h1H3

InChIKey

HXFVUECWGARNTL-UHFFFAOYSA-N

Compound name

O-methyl chloromethanethioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 775
Patents: 109.95931 Da
Monoisotopic Mass: 1.8
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]+	110.966586	113.7
[M+Na]+	132.948528	123.3
[M-H]-	108.952034	115.1
[M+NH4]+	127.993133	138.1
[M+K]+	148.922468	121.5
[M+H-H2O]+	92.956570	111.0
[M+HCOO]-	154.957511	128.2
[M+CH3COO]-	168.973161	164.3
[M+Na-2H]-	130.933976	117.7
[M]+	109.95876142	117.2
[M]-	109.95985858	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe