CID 220814

2,4-dichlorophenyl 4-methylbenzenesulfonate

Structural Information

Molecular Formula

C₁₃H₁₀Cl₂O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2O3S/c1-9-2-5-11(6-3-9)19(16,17)18-13-7-4-10(14)8-12(13)15/h2-8H,1H3

InChIKey

JVULAOJMCZFRSC-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenyl) 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 315.97278 Da
Monoisotopic Mass: 4.6
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]+	316.98006	167.3
[M+Na]+	338.96200	183.5
[M+NH4]+	334.00660	176.2
[M+K]+	354.93594	173.3
[M-H]-	314.96550	171.0
[M+Na-2H]-	336.94745	175.9
[M]+	315.97223	172.0
[M]-	315.97333	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe