CID 6451299

Furan, 2,2'-(2,5-thiophenediyl)di-

Structural Information

Molecular Formula
C12H8O2S
SMILES
C1=COC(=C1)C2=CC=C(S2)C3=CC=CO3
InChI
InChI=1S/C12H8O2S/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H
InChIKey
YTVIBEGICXWLGM-UHFFFAOYSA-N
Compound name
2-[5-(furan-2-yl)thiophen-2-yl]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.0245 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.031776 143.8
[M+Na]+ 239.013718 156.0
[M-H]- 215.017224 157.4
[M+NH4]+ 234.058323 166.2
[M+K]+ 254.987658 155.8
[M+H-H2O]+ 199.021760 140.7
[M+HCOO]- 261.022701 168.4
[M+CH3COO]- 275.038351 160.4
[M+Na-2H]- 236.999166 146.1
[M]+ 216.02395142 151.0
[M]- 216.02504858 151.0
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.