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

62
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

literature stripe

Patent stripe

patents stripe