CID 7018947

3-phenoxythiophene

Structural Information

Molecular Formula
C10H8OS
SMILES
C1=CC=C(C=C1)OC2=CSC=C2
InChI
InChI=1S/C10H8OS/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-8H
InChIKey
DXSHUWUDKNEGFS-UHFFFAOYSA-N
Compound name
3-phenoxythiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

813
Patents

176.02959 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.03687 134.5
[M+Na]+ 199.01881 143.7
[M-H]- 175.02231 142.1
[M+NH4]+ 194.06341 157.1
[M+K]+ 214.99275 140.8
[M+H-H2O]+ 159.02685 128.8
[M+HCOO]- 221.02779 156.4
[M+CH3COO]- 235.04344 149.3
[M+Na-2H]- 197.00426 138.9
[M]+ 176.02904 136.9
[M]- 176.03014 136.9
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

No patent data available for this compound.