CID 58948

2-(1,3-dithiolan-2-yl)indole

Structural Information

Molecular Formula
C11H11NS2
SMILES
C1CSC(S1)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C11H11NS2/c1-2-4-9-8(3-1)7-10(12-9)11-13-5-6-14-11/h1-4,7,11-12H,5-6H2
InChIKey
FTENJHHISPVLSJ-UHFFFAOYSA-N
Compound name
2-(1,3-dithiolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0333 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04058 144.3
[M+Na]+ 244.02252 155.3
[M-H]- 220.02602 150.3
[M+NH4]+ 239.06712 166.8
[M+K]+ 259.99646 150.1
[M+H-H2O]+ 204.03056 140.1
[M+HCOO]- 266.03150 157.3
[M+CH3COO]- 280.04715 157.7
[M+Na-2H]- 242.00797 144.6
[M]+ 221.03275 145.1
[M]- 221.03385 145.1
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.