CID 55252708

Thieno[3,2-b]thiophene-2-carbonitrile

Structural Information

Molecular Formula
C7H3NS2
SMILES
C1=CSC2=C1SC(=C2)C#N
InChI
InChI=1S/C7H3NS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-3H
InChIKey
UPRBPGCXCNBTQH-UHFFFAOYSA-N
Compound name
thieno[3,2-b]thiophene-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

164.97069 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.977966 143.2
[M+Na]+ 187.959908 159.0
[M-H]- 163.963414 149.7
[M+NH4]+ 183.004513 167.7
[M+K]+ 203.933848 154.3
[M+H-H2O]+ 147.967950 133.2
[M+HCOO]- 209.968891 157.4
[M+CH3COO]- 223.984541 157.3
[M+Na-2H]- 185.945356 144.7
[M]+ 164.97014142 143.5
[M]- 164.97123858 143.5
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