CID 176690

5,5''-dibromo-2,2':5',2''-terthiophene

Structural Information

Molecular Formula
C12H6Br2S3
SMILES
C1=C(SC(=C1)C2=CC=C(S2)Br)C3=CC=C(S3)Br
InChI
InChI=1S/C12H6Br2S3/c13-11-5-3-9(16-11)7-1-2-8(15-7)10-4-6-12(14)17-10/h1-6H
InChIKey
KXFPYYJGYVYXIB-UHFFFAOYSA-N
Compound name
2,5-bis(5-bromothiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

403.79984 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.80712 138.7
[M+Na]+ 426.78906 135.0
[M+NH4]+ 421.83366 142.6
[M+K]+ 442.76300 140.6
[M-H]- 402.79256 142.0
[M+Na-2H]- 424.77451 142.1
[M]+ 403.79929 138.9
[M]- 403.80039 138.9
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

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