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]+ 165.97797 143.2
[M+Na]+ 187.95991 159.0
[M-H]- 163.96341 149.7
[M+NH4]+ 183.00451 167.7
[M+K]+ 203.93385 154.3
[M+H-H2O]+ 147.96795 133.2
[M+HCOO]- 209.96889 157.4
[M+CH3COO]- 223.98454 157.3
[M+Na-2H]- 185.94536 144.7
[M]+ 164.97014 143.5
[M]- 164.97124 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