CID 141178

2-bromothieno[2,3-b]thiophene

Structural Information

Molecular Formula
C6H3BrS2
SMILES
C1=CSC2=C1C=C(S2)Br
InChI
InChI=1S/C6H3BrS2/c7-5-3-4-1-2-8-6(4)9-5/h1-3H
InChIKey
DRHZNSHNAFMJJF-UHFFFAOYSA-N
Compound name
5-bromothieno[2,3-b]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

217.88596 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.89324 125.0
[M+Na]+ 240.87518 142.8
[M-H]- 216.87868 134.4
[M+NH4]+ 235.91978 153.6
[M+K]+ 256.84912 131.6
[M+H-H2O]+ 200.88322 128.4
[M+HCOO]- 262.88416 141.5
[M+CH3COO]- 276.89981 143.5
[M+Na-2H]- 238.86063 130.2
[M]+ 217.88541 148.4
[M]- 217.88651 148.4
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