CID 6433341

Chemagro d-113

Structural Information

Molecular Formula

C₃H₄Cl₂O₂S

SMILES

CS(=O)(=O)/C(=C\Cl)/Cl

InChI

InChI=1S/C3H4Cl2O2S/c1-8(6,7)3(5)2-4/h2H,1H3/b3-2-

InChIKey

ZWKSNOSGZRTFMP-IHWYPQMZSA-N

Compound name

(E)-1,2-dichloro-1-methylsulfonylethene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 173.93091 Da
Monoisotopic Mass: 1.2
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]+	174.93819	126.0
[M+Na]+	196.92013	136.1
[M-H]-	172.92363	127.1
[M+NH4]+	191.96473	148.1
[M+K]+	212.89407	132.1
[M+H-H2O]+	156.92817	124.4
[M+HCOO]-	218.92911	134.3
[M+CH3COO]-	232.94476	172.6
[M+Na-2H]-	194.90558	129.5
[M]+	173.93036	130.1
[M]-	173.93146	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe