CID 18448197

2-[4-(octyloxy)phenyl]thiophene

Structural Information

Molecular Formula
C18H24OS
SMILES
CCCCCCCCOC1=CC=C(C=C1)C2=CC=CS2
InChI
InChI=1S/C18H24OS/c1-2-3-4-5-6-7-14-19-17-12-10-16(11-13-17)18-9-8-15-20-18/h8-13,15H,2-7,14H2,1H3
InChIKey
UUJRFPDHHPDLKI-UHFFFAOYSA-N
Compound name
2-(4-octoxyphenyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

288.1548 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16208 170.1
[M+Na]+ 311.14402 182.6
[M+NH4]+ 306.18862 179.5
[M+K]+ 327.11796 172.8
[M-H]- 287.14752 174.9
[M+Na-2H]- 309.12947 177.3
[M]+ 288.15425 173.8
[M]- 288.15535 173.8
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