CID 2760354

4-phenoxythiophenol

Structural Information

Molecular Formula
C12H10OS
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S
InChI
InChI=1S/C12H10OS/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,14H
InChIKey
VUFOTXYLUWEYFC-UHFFFAOYSA-N
Compound name
4-phenoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
Patents

202.04524 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 140.1
[M+Na]+ 225.03446 149.1
[M-H]- 201.03796 147.5
[M+NH4]+ 220.07906 159.9
[M+K]+ 241.00840 145.3
[M+H-H2O]+ 185.04250 133.6
[M+HCOO]- 247.04344 160.5
[M+CH3COO]- 261.05909 154.1
[M+Na-2H]- 223.01991 145.5
[M]+ 202.04469 142.6
[M]- 202.04579 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe