CID 2762568

124638-53-5

Structural Information

Molecular Formula
C6Br4S2
SMILES
C12=C(C(=C(S1)Br)Br)SC(=C2Br)Br
InChI
InChI=1S/C6Br4S2/c7-1-3-4(12-5(1)9)2(8)6(10)11-3
InChIKey
CWCKRNKYWPNOAZ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrabromothieno[3,2-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

451.6175 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.62478 131.7
[M+Na]+ 474.60672 142.2
[M-H]- 450.61022 137.8
[M+NH4]+ 469.65132 145.0
[M+K]+ 490.58066 129.4
[M+H-H2O]+ 434.61476 151.3
[M+HCOO]- 496.61570 136.7
[M+CH3COO]- 510.63135 141.9
[M+Na-2H]- 472.59217 135.5
[M]+ 451.61695 171.7
[M]- 451.61805 171.7
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.