CID 57349543

38006-16-5

Structural Information

Molecular Formula
C11H8OS
SMILES
C1CC(=O)C2=C1SC3=CC=CC=C32
InChI
InChI=1S/C11H8OS/c12-8-5-6-10-11(8)7-3-1-2-4-9(7)13-10/h1-4H,5-6H2
InChIKey
VUQNVBHDBXJWMA-UHFFFAOYSA-N
Compound name
2,3-dihydrocyclopenta[b][1]benzothiol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

188.02959 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03687 136.7
[M+Na]+ 211.01881 150.0
[M+NH4]+ 206.06341 148.2
[M+K]+ 226.99275 143.8
[M-H]- 187.02231 140.2
[M+Na-2H]- 209.00426 142.3
[M]+ 188.02904 140.2
[M]- 188.03014 140.2
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