CID 74212

1633-84-7

Structural Information

Molecular Formula

C₄H₈Cl₂O₂S

SMILES

C(CCCl)CS(=O)(=O)Cl

InChI

InChI=1S/C4H8Cl2O2S/c5-3-1-2-4-9(6,7)8/h1-4H2

InChIKey

YDSCNYYRPIFOJD-UHFFFAOYSA-N

Compound name

4-chlorobutane-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 382
Patents: 189.9622 Da
Monoisotopic Mass: 1.7
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]+	190.96948	132.1
[M+Na]+	212.95142	141.7
[M-H]-	188.95492	132.8
[M+NH4]+	207.99602	153.6
[M+K]+	228.92536	137.6
[M+H-H2O]+	172.95946	130.0
[M+HCOO]-	234.96040	140.9
[M+CH3COO]-	248.97605	176.4
[M+Na-2H]-	210.93687	136.1
[M]+	189.96165	137.8
[M]-	189.96275	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe