CID 137385

2,5-di-(2'-thienyl)furan

Structural Information

Molecular Formula
C12H8OS2
SMILES
C1=CSC(=C1)C2=CC=C(O2)C3=CC=CS3
InChI
InChI=1S/C12H8OS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8H
InChIKey
FEBXMKWMRKJKKW-UHFFFAOYSA-N
Compound name
2,5-dithiophen-2-ylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

113
Patents

232.00166 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.00894 149.6
[M+Na]+ 254.99088 163.1
[M-H]- 230.99438 162.8
[M+NH4]+ 250.03548 173.3
[M+K]+ 270.96482 160.6
[M+H-H2O]+ 214.99892 146.6
[M+HCOO]- 276.99986 169.9
[M+CH3COO]- 291.01551 165.6
[M+Na-2H]- 252.97633 148.9
[M]+ 232.00111 156.3
[M]- 232.00221 156.3
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