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

84
Patents

451.6175 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.624776 131.7
[M+Na]+ 474.606718 142.2
[M-H]- 450.610224 137.8
[M+NH4]+ 469.651323 145.0
[M+K]+ 490.580658 129.4
[M+H-H2O]+ 434.614760 151.3
[M+HCOO]- 496.615701 136.7
[M+CH3COO]- 510.631351 141.9
[M+Na-2H]- 472.592166 135.5
[M]+ 451.61695142 171.7
[M]- 451.61804858 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

literature stripe

Patent stripe

patents stripe