CID 255993

2,3-dihydrocyclopenta(b)thiochromen-9(1h)-one

Structural Information

Molecular Formula
C12H10OS
SMILES
C1CC2=C(C1)SC3=CC=CC=C3C2=O
InChI
InChI=1S/C12H10OS/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-2,4,6H,3,5,7H2
InChIKey
YCIXDJLOGWIVSZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-cyclopenta[b]thiochromen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.04524 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.05252 139.2
[M+Na]+ 225.03446 149.9
[M-H]- 201.03796 145.5
[M+NH4]+ 220.07906 163.4
[M+K]+ 241.00840 145.5
[M+H-H2O]+ 185.04250 134.6
[M+HCOO]- 247.04344 157.5
[M+CH3COO]- 261.05909 153.7
[M+Na-2H]- 223.01991 144.3
[M]+ 202.04469 141.4
[M]- 202.04579 141.4
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

No patent data available for this compound.