CID 11382649

2,6-dibromodithieno[3,2-b:2',3'-d]thiophene

Structural Information

Molecular Formula
C8H2Br2S3
SMILES
C1=C(SC2=C1SC3=C2SC(=C3)Br)Br
InChI
InChI=1S/C8H2Br2S3/c9-5-1-3-7(12-5)8-4(11-3)2-6(10)13-8/h1-2H
InChIKey
UTKPZZGBROTDKR-UHFFFAOYSA-N
Compound name
4,10-dibromo-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

351.76855 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.77583 125.8
[M+Na]+ 374.75777 146.2
[M-H]- 350.76127 137.1
[M+NH4]+ 369.80237 151.9
[M+K]+ 390.73171 131.4
[M+H-H2O]+ 334.76581 139.0
[M+HCOO]- 396.76675 136.2
[M+CH3COO]- 410.78240 144.0
[M+Na-2H]- 372.74322 132.3
[M]+ 351.76800 164.9
[M]- 351.76910 164.9
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