CID 2740586

3,3',5,5'-tetrabromo-2,2'-bithiophene

Structural Information

Molecular Formula
C8H2Br4S2
SMILES
C1=C(SC(=C1Br)C2=C(C=C(S2)Br)Br)Br
InChI
InChI=1S/C8H2Br4S2/c9-3-1-5(11)13-7(3)8-4(10)2-6(12)14-8/h1-2H
InChIKey
MOMHMPZSZNZLAK-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-(3,5-dibromothiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

75
Patents

477.63315 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.640426 137.7
[M+Na]+ 500.622368 147.9
[M-H]- 476.625874 144.5
[M+NH4]+ 495.666973 150.3
[M+K]+ 516.596308 134.9
[M+H-H2O]+ 460.630410 157.0
[M+HCOO]- 522.631351 142.9
[M+CH3COO]- 536.647001 147.6
[M+Na-2H]- 498.607816 140.5
[M]+ 477.63260142 177.5
[M]- 477.63369858 177.5
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