CID 2381301

1-(2-chlorophenyl)-2-(cyclopentylsulfanyl)ethan-1-one

Structural Information

Molecular Formula
C13H15ClOS
SMILES
C1CCC(C1)SCC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C13H15ClOS/c14-12-8-4-3-7-11(12)13(15)9-16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2
InChIKey
RRYPUQCNARVMNV-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-2-cyclopentylsulfanylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.0532 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06048 156.2
[M+Na]+ 277.04242 168.3
[M+NH4]+ 272.08702 166.2
[M+K]+ 293.01636 159.9
[M-H]- 253.04592 160.3
[M+Na-2H]- 275.02787 162.5
[M]+ 254.05265 159.8
[M]- 254.05375 159.8
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.