CID 2795653

2-(thiophen-2-yl)-1h-indole

Structural Information

Molecular Formula
C12H9NS
SMILES
C1=CC=C2C(=C1)C=C(N2)C3=CC=CS3
InChI
InChI=1S/C12H9NS/c1-2-5-10-9(4-1)8-11(13-10)12-6-3-7-14-12/h1-8,13H
InChIKey
YKSQPGLJCBOZNG-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

63
Patents

199.04558 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.05286 140.4
[M+Na]+ 222.03480 152.2
[M-H]- 198.03830 147.1
[M+NH4]+ 217.07940 163.5
[M+K]+ 238.00874 147.0
[M+H-H2O]+ 182.04284 135.2
[M+HCOO]- 244.04378 161.0
[M+CH3COO]- 258.05943 155.1
[M+Na-2H]- 220.02025 143.9
[M]+ 199.04503 142.8
[M]- 199.04613 142.8
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.