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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08382 162.0
[M+Na]+ 301.06576 169.8
[M-H]- 277.06926 171.8
[M+NH4]+ 296.11036 178.1
[M+K]+ 317.03970 164.0
[M+H-H2O]+ 261.07380 153.7
[M+HCOO]- 323.07474 181.8
[M+CH3COO]- 337.09039 174.2
[M+Na-2H]- 299.05121 166.8
[M]+ 278.07599 163.8
[M]- 278.07709 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe