CID 12872762

4h-indeno[1,2-b]thiophen-4-one

Structural Information

Molecular Formula
C11H6OS
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=CS3
InChI
InChI=1S/C11H6OS/c12-10-7-3-1-2-4-8(7)11-9(10)5-6-13-11/h1-6H
InChIKey
WSOJIQBCVMSHLB-UHFFFAOYSA-N
Compound name
indeno[1,2-b]thiophen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

186.01393 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02121 137.4
[M+Na]+ 209.00315 149.8
[M-H]- 185.00665 144.5
[M+NH4]+ 204.04775 164.2
[M+K]+ 224.97709 145.9
[M+H-H2O]+ 169.01119 133.9
[M+HCOO]- 231.01213 158.3
[M+CH3COO]- 245.02778 153.1
[M+Na-2H]- 206.98860 141.2
[M]+ 186.01338 141.8
[M]- 186.01448 141.8
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