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

6
Patents

290.02576 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03304 166.9
[M+Na]+ 313.01498 180.6
[M-H]- 289.01848 178.6
[M+NH4]+ 308.05958 189.8
[M+K]+ 328.98892 174.5
[M+H-H2O]+ 273.02302 163.5
[M+HCOO]- 335.02396 180.9
[M+CH3COO]- 349.03961 180.8
[M+Na-2H]- 311.00043 162.4
[M]+ 290.02521 173.1
[M]- 290.02631 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