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

549
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 134.7
[M+Na]+ 199.01881 148.5
[M+NH4]+ 194.06341 145.5
[M+K]+ 214.99275 140.4
[M-H]- 175.02231 139.8
[M+Na-2H]- 197.00426 144.2
[M]+ 176.02904 138.7
[M]- 176.03014 138.7
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

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