CID 454746

.alpha.-t mes deriv.

Structural Information

Molecular Formula
C13H10S4
SMILES
CSC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3
InChI
InChI=1S/C13H10S4/c1-14-13-7-6-12(17-13)11-5-4-10(16-11)9-3-2-8-15-9/h2-8H,1H3
InChIKey
GJWQKSIVZGJTII-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

293.96652 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.97380 167.6
[M+Na]+ 316.95574 182.6
[M-H]- 292.95924 178.3
[M+NH4]+ 312.00034 189.7
[M+K]+ 332.92968 175.2
[M+H-H2O]+ 276.96378 165.0
[M+HCOO]- 338.96472 176.3
[M+CH3COO]- 352.98037 180.8
[M+Na-2H]- 314.94119 163.8
[M]+ 293.96597 171.5
[M]- 293.96707 171.5
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

No patent data available for this compound.