CID 16073162

959352-79-5

Structural Information

Molecular Formula
C14H8S2
SMILES
C1=CC=C2C(=C1)C=C(S2)C#CC3=CSC=C3
InChI
InChI=1S/C14H8S2/c1-2-4-14-12(3-1)9-13(16-14)6-5-11-7-8-15-10-11/h1-4,7-10H
InChIKey
VGHPHSACSXIXBM-UHFFFAOYSA-N
Compound name
2-(2-thiophen-3-ylethynyl)-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.00674 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.01402 167.9
[M+Na]+ 262.99596 183.9
[M-H]- 238.99946 175.4
[M+NH4]+ 258.04056 189.5
[M+K]+ 278.96990 175.3
[M+H-H2O]+ 223.00400 157.6
[M+HCOO]- 285.00494 179.8
[M+CH3COO]- 299.02059 180.2
[M+Na-2H]- 260.98141 167.1
[M]+ 240.00619 167.2
[M]- 240.00729 167.2
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

No patent data available for this compound.