CID 81843

Phenyl m-(phenylthio)phenyl ether

Structural Information

Molecular Formula

C₁₈H₁₄OS

SMILES

C1=CC=C(C=C1)OC2=CC(=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H14OS/c1-3-8-15(9-4-1)19-16-10-7-13-18(14-16)20-17-11-5-2-6-12-17/h1-14H

InChIKey

IZCROMGAYMASSF-UHFFFAOYSA-N

Compound name

1-phenoxy-3-phenylsulfanylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 278.07654 Da
Monoisotopic Mass: 5.5
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]+	279.08382	161.3
[M+Na]+	301.06576	179.0
[M+NH4]+	296.11036	172.4
[M+K]+	317.03970	166.5
[M-H]-	277.06926	170.0
[M+Na-2H]-	299.05121	174.9
[M]+	278.07599	167.2
[M]-	278.07709	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe