CID 11355649

2-ethenyl-1-benzothiophene

Structural Information

Molecular Formula
C10H8S
SMILES
C=CC1=CC2=CC=CC=C2S1
InChI
InChI=1S/C10H8S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h2-7H,1H2
InChIKey
UEPFNQXGOLWTAD-UHFFFAOYSA-N
Compound name
2-ethenyl-1-benzothiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

160.03467 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04195 130.4
[M+Na]+ 183.02389 145.0
[M+NH4]+ 178.06849 141.7
[M+K]+ 198.99783 136.2
[M-H]- 159.02739 134.4
[M+Na-2H]- 181.00934 138.2
[M]+ 160.03412 134.3
[M]- 160.03522 134.3
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