CID 59753246

5-propyl-2,2':5',2''-terthiophene

Structural Information

Molecular Formula
C15H14S3
SMILES
CCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3
InChI
InChI=1S/C15H14S3/c1-2-4-11-6-7-14(17-11)15-9-8-13(18-15)12-5-3-10-16-12/h3,5-10H,2,4H2,1H3
InChIKey
DRHCZFSTWWOCRZ-UHFFFAOYSA-N
Compound name
2-propyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

290.02576 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.033036 166.9
[M+Na]+ 313.014978 180.6
[M-H]- 289.018484 178.6
[M+NH4]+ 308.059583 189.8
[M+K]+ 328.988918 174.5
[M+H-H2O]+ 273.023020 163.5
[M+HCOO]- 335.023961 180.9
[M+CH3COO]- 349.039611 180.8
[M+Na-2H]- 311.000426 162.4
[M]+ 290.02521142 173.1
[M]- 290.02630858 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

patents stripe