CID 514884

99902-92-8

Structural Information

Molecular Formula

C₁₃H₁₁ClO₃S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2Cl

InChI

InChI=1S/C13H11ClO3S/c1-18(15,16)11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)14/h2-9H,1H3

InChIKey

RLYMRVHDFRTVTK-UHFFFAOYSA-N

Compound name

1-chloro-2-(4-methylsulfonylphenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 282.01175 Da
Monoisotopic Mass: 3.3
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]+	283.01903	157.6
[M+Na]+	305.00097	168.1
[M-H]-	281.00447	165.4
[M+NH4]+	300.04557	175.1
[M+K]+	320.97491	162.9
[M+H-H2O]+	265.00901	151.9
[M+HCOO]-	327.00995	172.2
[M+CH3COO]-	341.02560	193.7
[M+Na-2H]-	302.98642	162.2
[M]+	282.01120	163.9
[M]-	282.01230	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe