CID 123417

26555-40-8

Structural Information

Molecular Formula

C₂H₃ClO₂S

SMILES

COC(=O)SCl

InChI

InChI=1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3

InChIKey

TXJXPZVVSLAQOQ-UHFFFAOYSA-N

Compound name

methyl chlorosulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 465
Patents: 125.95423 Da
Monoisotopic Mass: 1.4
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]+	126.96151	117.0
[M+Na]+	148.94345	126.6
[M-H]-	124.94695	118.4
[M+NH4]+	143.98805	140.8
[M+K]+	164.91739	125.2
[M+H-H2O]+	108.95149	114.1
[M+HCOO]-	170.95243	131.8
[M+CH3COO]-	184.96808	165.5
[M+Na-2H]-	146.92890	121.1
[M]+	125.95368	121.9
[M]-	125.95478	121.9

Literature stripe

literature stripe

Patent stripe

patents stripe