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

1
Patents

171.97496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.982236 134.6
[M+Na]+ 194.964178 146.7
[M-H]- 170.967684 140.5
[M+NH4]+ 190.008783 161.6
[M+K]+ 210.938118 142.8
[M+H-H2O]+ 154.972220 132.0
[M+HCOO]- 216.973161 150.5
[M+CH3COO]- 230.988811 150.0
[M+Na-2H]- 192.949626 135.9
[M]+ 171.97441142 138.7
[M]- 171.97550858 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

patents stripe