CID 15365429

69300-48-7

Structural Information

Molecular Formula
C7H5ClOS
SMILES
C1CC(=O)C2=C1SC(=C2)Cl
InChI
InChI=1S/C7H5ClOS/c8-7-3-4-5(9)1-2-6(4)10-7/h3H,1-2H2
InChIKey
UAGPCGAVANHCNG-UHFFFAOYSA-N
Compound name
2-chloro-5,6-dihydrocyclopenta[b]thiophen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.97496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.98224 132.0
[M+Na]+ 194.96418 143.9
[M+NH4]+ 190.00878 142.8
[M+K]+ 210.93812 138.3
[M-H]- 170.96768 134.2
[M+Na-2H]- 192.94963 136.1
[M]+ 171.97441 135.0
[M]- 171.97551 135.0
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.