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]+ 217.03178 143.8
[M+Na]+ 239.01372 156.0
[M-H]- 215.01722 157.4
[M+NH4]+ 234.05832 166.2
[M+K]+ 254.98766 155.8
[M+H-H2O]+ 199.02176 140.7
[M+HCOO]- 261.02270 168.4
[M+CH3COO]- 275.03835 160.4
[M+Na-2H]- 236.99917 146.1
[M]+ 216.02395 151.0
[M]- 216.02505 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.