CID 238614

1774-36-3

Structural Information

Molecular Formula

C₁₄H₁₄O₃S

SMILES

COC1=CC=C(C=C1)S(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C14H14O3S/c1-16-11-3-7-13(8-4-11)18(15)14-9-5-12(17-2)6-10-14/h3-10H,1-2H3

InChIKey

LEDPSBGADKSDKI-UHFFFAOYSA-N

Compound name

1-methoxy-4-(4-methoxyphenyl)sulfinylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 167
Patents: 262.06638 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]+	263.073656	156.0
[M+Na]+	285.055598	164.4
[M-H]-	261.059104	163.3
[M+NH4]+	280.100203	173.3
[M+K]+	301.029538	161.2
[M+H-H2O]+	245.063640	148.8
[M+HCOO]-	307.064581	175.1
[M+CH3COO]-	321.080231	194.2
[M+Na-2H]-	283.041046	158.6
[M]+	262.06583142	161.0
[M]-	262.06692858	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe