CID 176446

5-methyl-2,2':5',2''-terthiophene

Structural Information

Molecular Formula
C13H10S3
SMILES
CC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3
InChI
InChI=1S/C13H10S3/c1-9-4-5-12(15-9)13-7-6-11(16-13)10-3-2-8-14-10/h2-8H,1H3
InChIKey
VSQXFWPDQQZSOA-UHFFFAOYSA-N
Compound name
2-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

216
Patents

261.99448 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00176 158.9
[M+Na]+ 284.98370 173.5
[M-H]- 260.98720 171.0
[M+NH4]+ 280.02830 182.9
[M+K]+ 300.95764 167.9
[M+H-H2O]+ 244.99174 155.9
[M+HCOO]- 306.99268 173.5
[M+CH3COO]- 321.00833 173.7
[M+Na-2H]- 282.96915 155.3
[M]+ 261.99393 164.5
[M]- 261.99503 164.5
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