CID 2733556

Chloromethyl chlorosulfate

Structural Information

Molecular Formula

CH₂Cl₂O₃S

SMILES

C(OS(=O)(=O)Cl)Cl

InChI

InChI=1S/CH2Cl2O3S/c2-1-6-7(3,4)5/h1H2

InChIKey

PJBIHXWYDMFGCV-UHFFFAOYSA-N

Compound name

chloro(chlorosulfonyloxy)methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2015
Patents: 163.91017 Da
Monoisotopic Mass: 1.1
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]+	164.91745	121.1
[M+Na]+	186.89939	131.9
[M-H]-	162.90289	122.4
[M+NH4]+	181.94399	143.6
[M+K]+	202.87333	128.9
[M+H-H2O]+	146.90743	119.6
[M+HCOO]-	208.90837	131.1
[M+CH3COO]-	222.92402	169.5
[M+Na-2H]-	184.88484	126.8
[M]+	163.90962	127.2
[M]-	163.91072	127.2

Literature stripe

literature stripe

Patent stripe

patents stripe