CID 12495224

1-chloroethane-1-sulfonyl chloride

Structural Information

Molecular Formula

C₂H₄Cl₂O₂S

SMILES

CC(S(=O)(=O)Cl)Cl

InChI

InChI=1S/C2H4Cl2O2S/c1-2(3)7(4,5)6/h2H,1H3

InChIKey

XUWDWJZNNYTMJV-UHFFFAOYSA-N

Compound name

1-chloroethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 407
Patents: 161.93091 Da
Monoisotopic Mass: 1.5
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]+	162.93819	122.1
[M+Na]+	184.92013	132.3
[M-H]-	160.92363	123.3
[M+NH4]+	179.96473	144.6
[M+K]+	200.89407	129.1
[M+H-H2O]+	144.92817	120.6
[M+HCOO]-	206.92911	130.6
[M+CH3COO]-	220.94476	171.3
[M+Na-2H]-	182.90558	126.1
[M]+	161.93036	126.6
[M]-	161.93146	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe