CID 15458991

5'-bromo-[2,2'-bithiophene]-5-carbonitrile

Structural Information

Molecular Formula
C9H4BrNS2
SMILES
C1=C(SC(=C1)C2=CC=C(S2)Br)C#N
InChI
InChI=1S/C9H4BrNS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-4H
InChIKey
OHVCHDZJRUEOKH-UHFFFAOYSA-N
Compound name
5-(5-bromothiophen-2-yl)thiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.89685 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.90413 148.0
[M+Na]+ 291.88607 167.4
[M-H]- 267.88957 157.8
[M+NH4]+ 286.93067 171.3
[M+K]+ 307.86001 154.5
[M+H-H2O]+ 251.89411 143.0
[M+HCOO]- 313.89505 163.7
[M+CH3COO]- 327.91070 163.7
[M+Na-2H]- 289.87152 150.0
[M]+ 268.89630 164.4
[M]- 268.89740 164.4
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

patents stripe