CID 53408424

6-(furan-3-yl)-1h-indole

Structural Information

Molecular Formula
C12H9NO
SMILES
C1=CC(=CC2=C1C=CN2)C3=COC=C3
InChI
InChI=1S/C12H9NO/c1-2-10(11-4-6-14-8-11)7-12-9(1)3-5-13-12/h1-8,13H
InChIKey
SESUSXJVWJHEOW-UHFFFAOYSA-N
Compound name
6-(furan-3-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.06842 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07570 134.9
[M+Na]+ 206.05764 145.5
[M-H]- 182.06114 141.7
[M+NH4]+ 201.10224 156.2
[M+K]+ 222.03158 142.3
[M+H-H2O]+ 166.06568 129.1
[M+HCOO]- 228.06662 159.5
[M+CH3COO]- 242.08227 149.8
[M+Na-2H]- 204.04309 142.3
[M]+ 183.06787 136.5
[M]- 183.06897 136.5
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

patents stripe