CID 3552928

2,5-bis(4-methoxyphenyl)thiophene

Structural Information

Molecular Formula
C18H16O2S
SMILES
COC1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H16O2S/c1-19-15-7-3-13(4-8-15)17-11-12-18(21-17)14-5-9-16(20-2)10-6-14/h3-12H,1-2H3
InChIKey
SNVBIBDQUGLRIV-UHFFFAOYSA-N
Compound name
2,5-bis(4-methoxyphenyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

296.0871 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09438 167.9
[M+Na]+ 319.07632 177.5
[M-H]- 295.07982 178.8
[M+NH4]+ 314.12092 185.9
[M+K]+ 335.05026 172.6
[M+H-H2O]+ 279.08436 160.6
[M+HCOO]- 341.08530 188.8
[M+CH3COO]- 355.10095 181.0
[M+Na-2H]- 317.06177 168.6
[M]+ 296.08655 173.1
[M]- 296.08765 173.1
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.