CID 514881

83642-37-9

Structural Information

Molecular Formula

C₁₄H₁₄O₄S

SMILES

COC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H14O4S/c1-17-11-3-5-12(6-4-11)18-13-7-9-14(10-8-13)19(2,15)16/h3-10H,1-2H3

InChIKey

ZXJPTGLBIYKSDJ-UHFFFAOYSA-N

Compound name

1-methoxy-4-(4-methylsulfonylphenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 278.06128 Da
Monoisotopic Mass: 2.3
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]+	279.06856	159.8
[M+Na]+	301.05050	168.9
[M-H]-	277.05400	167.3
[M+NH4]+	296.09510	176.4
[M+K]+	317.02444	165.7
[M+H-H2O]+	261.05854	152.7
[M+HCOO]-	323.05948	178.8
[M+CH3COO]-	337.07513	195.1
[M+Na-2H]-	299.03595	164.4
[M]+	278.06073	165.7
[M]-	278.06183	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe