CID 2739839

2,2'-bithiophene-5-carbonitrile

Structural Information

Molecular Formula
C9H5NS2
SMILES
C1=CSC(=C1)C2=CC=C(S2)C#N
InChI
InChI=1S/C9H5NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H
InChIKey
ANARYBGZNUMARH-UHFFFAOYSA-N
Compound name
5-thiophen-2-ylthiophene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

123
Patents

190.98634 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99362 151.4
[M+Na]+ 213.97556 166.5
[M-H]- 189.97906 159.6
[M+NH4]+ 209.02016 173.8
[M+K]+ 229.94950 161.4
[M+H-H2O]+ 173.98360 140.1
[M+HCOO]- 235.98454 166.4
[M+CH3COO]- 250.00019 165.0
[M+Na-2H]- 211.96101 151.1
[M]+ 190.98579 150.9
[M]- 190.98689 150.9
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