CID 10613979

3,6-dibromothieno[3,2-b]thiophene

Structural Information

Molecular Formula
C6H2Br2S2
SMILES
C1=C(C2=C(S1)C(=CS2)Br)Br
InChI
InChI=1S/C6H2Br2S2/c7-3-1-9-6-4(8)2-10-5(3)6/h1-2H
InChIKey
DFMPVYZMICAYCS-UHFFFAOYSA-N
Compound name
3,6-dibromothieno[3,2-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

150
Patents

295.79648 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.80376 121.2
[M+Na]+ 318.78570 138.6
[M-H]- 294.78920 131.1
[M+NH4]+ 313.83030 146.3
[M+K]+ 334.75964 123.3
[M+H-H2O]+ 278.79374 132.4
[M+HCOO]- 340.79468 133.9
[M+CH3COO]- 354.81033 138.9
[M+Na-2H]- 316.77115 127.5
[M]+ 295.79593 159.1
[M]- 295.79703 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.