CID 8701

Disul

Structural Information

Molecular Formula

C₈H₈Cl₂O₅S

SMILES

C1=CC(=C(C=C1Cl)Cl)OCCOS(=O)(=O)O

InChI

InChI=1S/C8H8Cl2O5S/c9-6-1-2-8(7(10)5-6)14-3-4-15-16(11,12)13/h1-2,5H,3-4H2,(H,11,12,13)

InChIKey

HJEINPVZRDJRBY-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenoxy)ethyl hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 6617
Patents: 285.94696 Da
Monoisotopic Mass: 2.6
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]+	286.95424	150.1
[M+Na]+	308.93618	160.5
[M-H]-	284.93968	153.2
[M+NH4]+	303.98078	167.4
[M+K]+	324.91012	155.8
[M+H-H2O]+	268.94422	147.1
[M+HCOO]-	330.94516	158.8
[M+CH3COO]-	344.96081	189.3
[M+Na-2H]-	306.92163	154.2
[M]+	285.94641	158.8
[M]-	285.94751	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe