CID 44650

Tl 767

Structural Information

Molecular Formula

C₈H₁₆Cl₂S₂

SMILES

CC(C(C)SCCCl)SCCCl

InChI

InChI=1S/C8H16Cl2S2/c1-7(11-5-3-9)8(2)12-6-4-10/h7-8H,3-6H2,1-2H3

InChIKey

ISUQEBSPGWDNKY-UHFFFAOYSA-N

Compound name

2,3-bis(2-chloroethylsulfanyl)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.00705 Da
Monoisotopic Mass: 3.6
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]+	247.01433	154.4
[M+Na]+	268.99627	164.4
[M+NH4]+	264.04087	163.7
[M+K]+	284.97021	153.6
[M-H]-	244.99977	154.7
[M+Na-2H]-	266.98172	156.1
[M]+	246.00650	157.4
[M]-	246.00760	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.