CID 15365429

2-chloro-5,6-dihydro-4h-cyclopenta[b]thiophen-4-one

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 134.6
[M+Na]+ 194.96418 146.7
[M-H]- 170.96768 140.5
[M+NH4]+ 190.00878 161.6
[M+K]+ 210.93812 142.8
[M+H-H2O]+ 154.97222 132.0
[M+HCOO]- 216.97316 150.5
[M+CH3COO]- 230.98881 150.0
[M+Na-2H]- 192.94963 135.9
[M]+ 171.97441 138.7
[M]- 171.97551 138.7
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.