CID 143030

3,4-dibromothieno[2,3-b]thiophene

Structural Information

Molecular Formula
C6H2Br2S2
SMILES
C1=C(C2=C(S1)SC=C2Br)Br
InChI
InChI=1S/C6H2Br2S2/c7-3-1-9-6-5(3)4(8)2-10-6/h1-2H
InChIKey
BUGQRBSPOFSLQS-UHFFFAOYSA-N
Compound name
3,4-dibromothieno[2,3-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

295.79648 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.803756 121.2
[M+Na]+ 318.785698 138.6
[M-H]- 294.789204 131.1
[M+NH4]+ 313.830303 146.3
[M+K]+ 334.759638 123.3
[M+H-H2O]+ 278.793740 132.4
[M+HCOO]- 340.794681 133.9
[M+CH3COO]- 354.810331 138.9
[M+Na-2H]- 316.771146 127.5
[M]+ 295.79593142 159.1
[M]- 295.79702858 159.1
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