CID 80622995

2-(2-chlorophenyl)-1-(thiolan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H13ClOS
SMILES
C1CC(SC1)C(=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C12H13ClOS/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-2,4-5,12H,3,6-8H2
InChIKey
PKVSVVJDAYYOIY-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-(thiolan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03757 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04485 153.2
[M+Na]+ 263.02679 160.8
[M-H]- 239.03029 159.9
[M+NH4]+ 258.07139 173.9
[M+K]+ 279.00073 155.9
[M+H-H2O]+ 223.03483 148.0
[M+HCOO]- 285.03577 165.9
[M+CH3COO]- 299.05142 187.3
[M+Na-2H]- 261.01224 152.3
[M]+ 240.03702 154.5
[M]- 240.03812 154.5
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.