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

47
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

literature stripe

Patent stripe

patents stripe