CID 21962459

89376-18-1

Structural Information

Molecular Formula

C₁₃H₁₁ClO₃S

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2S(=O)(=O)Cl

InChI

InChI=1S/C13H11ClO3S/c14-18(15,16)13-9-5-4-8-12(13)17-10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

XLBHXAPKYJTOJQ-UHFFFAOYSA-N

Compound name

2-phenylmethoxybenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 282.01175 Da
Monoisotopic Mass: 3.4
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	158.2
[M+Na]+	305.00097	167.9
[M-H]-	281.00447	165.6
[M+NH4]+	300.04557	175.4
[M+K]+	320.97491	162.5
[M+H-H2O]+	265.00901	152.2
[M+HCOO]-	327.00995	172.8
[M+CH3COO]-	341.02560	192.6
[M+Na-2H]-	302.98642	163.4
[M]+	282.01120	164.0
[M]-	282.01230	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe