CID 85884345

62371-29-3

Structural Information

Molecular Formula

C₅H₁₀Cl₂O₄S₂

SMILES

C(CCS(=O)(=O)Cl)CCS(=O)(=O)Cl

InChI

InChI=1S/C5H10Cl2O4S2/c6-12(8,9)4-2-1-3-5-13(7,10)11/h1-5H2

InChIKey

YRBJZWHYOKBNSO-UHFFFAOYSA-N

Compound name

pentane-1,5-disulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 267.93976 Da
Monoisotopic Mass: 1.6
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]+	268.94704	149.8
[M+Na]+	290.92898	158.5
[M-H]-	266.93248	150.4
[M+NH4]+	285.97358	167.8
[M+K]+	306.90292	153.0
[M+H-H2O]+	250.93702	147.4
[M+HCOO]-	312.93796	152.0
[M+CH3COO]-	326.95361	186.6
[M+Na-2H]-	288.91443	152.3
[M]+	267.93921	157.0
[M]-	267.94031	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe