CID 25312490

1-[4-(cyclopentylsulfanyl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C13H16OS
SMILES
CC(=O)C1=CC=C(C=C1)SC2CCCC2
InChI
InChI=1S/C13H16OS/c1-10(14)11-6-8-13(9-7-11)15-12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKey
XRUZQKHJPWFGSM-UHFFFAOYSA-N
Compound name
1-(4-cyclopentylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0922 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09948 150.1
[M+Na]+ 243.08142 161.4
[M+NH4]+ 238.12602 159.9
[M+K]+ 259.05536 154.0
[M-H]- 219.08492 154.2
[M+Na-2H]- 241.06687 156.4
[M]+ 220.09165 153.3
[M]- 220.09275 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.