CID 79258

5335-87-5

Structural Information

Molecular Formula

C₁₄H₁₄O₂S₂

SMILES

COC1=CC=C(C=C1)SSC2=CC=C(C=C2)OC

InChI

InChI=1S/C14H14O2S2/c1-15-11-3-7-13(8-4-11)17-18-14-9-5-12(16-2)6-10-14/h3-10H,1-2H3

InChIKey

PZQGLCGLPMWYBT-UHFFFAOYSA-N

Compound name

1-methoxy-4-[(4-methoxyphenyl)disulfanyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 663
Patents: 278.04352 Da
Monoisotopic Mass: 4.0
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]+	279.05080	157.9
[M+Na]+	301.03274	166.6
[M-H]-	277.03624	164.6
[M+NH4]+	296.07734	174.9
[M+K]+	317.00668	161.3
[M+H-H2O]+	261.04078	150.8
[M+HCOO]-	323.04172	172.0
[M+CH3COO]-	337.05737	196.6
[M+Na-2H]-	299.01819	159.6
[M]+	278.04297	163.4
[M]-	278.04407	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe