CID 177784838

2,5-bis(5-bromo-3-hexylthiophen-2-yl)thieno[3,2-b]thiophene

Structural Information

Molecular Formula
C26H30Br2S4
SMILES
CCCCCCC1=C(SC(=C1)Br)C2=CC3=C(S2)C=C(S3)C4=C(C=C(S4)Br)CCCCCC
InChI
InChI=1S/C26H30Br2S4/c1-3-5-7-9-11-17-13-23(27)31-25(17)21-15-19-20(29-21)16-22(30-19)26-18(14-24(28)32-26)12-10-8-6-4-2/h13-16H,3-12H2,1-2H3
InChIKey
QBIDXNLEQFQBIV-UHFFFAOYSA-N
Compound name
2,5-bis(5-bromo-3-hexylthiophen-2-yl)thieno[3,2-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

627.9597 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.96698 183.5
[M+Na]+ 650.94892 201.2
[M-H]- 626.95242 197.1
[M+NH4]+ 645.99352 202.1
[M+K]+ 666.92286 184.7
[M+H-H2O]+ 610.95696 196.0
[M+HCOO]- 672.95790 189.1
[M+CH3COO]- 686.97355 196.9
[M+Na-2H]- 648.93437 183.0
[M]+ 627.95915 222.6
[M]- 627.96025 222.6
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.