CID 640065

5-bromo-[2,2']bithiophenyl

Structural Information

Molecular Formula
C8H5BrS2
SMILES
C1=CSC(=C1)C2=CC=C(S2)Br
InChI
InChI=1S/C8H5BrS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
InChIKey
OMOAIGVIYUXYAU-UHFFFAOYSA-N
Compound name
2-bromo-5-thiophen-2-ylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

243.90161 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.90889 131.9
[M+Na]+ 266.89083 149.0
[M-H]- 242.89433 143.4
[M+NH4]+ 261.93543 158.4
[M+K]+ 282.86477 137.2
[M+H-H2O]+ 226.89887 134.4
[M+HCOO]- 288.89981 149.4
[M+CH3COO]- 302.91546 150.0
[M+Na-2H]- 264.87628 135.4
[M]+ 243.90106 154.7
[M]- 243.90216 154.7
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