CID 3053823

70447-25-5

Structural Information

Molecular Formula
C12H11NS
SMILES
C=CN1C=C(C2=CC=CC=C21)SC=C
InChI
InChI=1S/C12H11NS/c1-3-13-9-12(14-4-2)10-7-5-6-8-11(10)13/h3-9H,1-2H2
InChIKey
MLKWTDGMRZIFGM-UHFFFAOYSA-N
Compound name
1-ethenyl-3-ethenylsulfanylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.06122 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06850 143.7
[M+Na]+ 224.05044 158.1
[M+NH4]+ 219.09504 153.5
[M+K]+ 240.02438 149.0
[M-H]- 200.05394 146.5
[M+Na-2H]- 222.03589 150.1
[M]+ 201.06067 147.1
[M]- 201.06177 147.1
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

No patent data available for this compound.