CID 4182413

882748-89-2

Structural Information

Molecular Formula
C16H15ClOS
SMILES
CC1=CC=C(C=C1)C(=O)CCSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H15ClOS/c1-12-2-4-13(5-3-12)16(18)10-11-19-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3
InChIKey
AQYHKPUZCXCFMM-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.05322 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06050 164.5
[M+Na]+ 313.04244 180.4
[M+NH4]+ 308.08704 174.5
[M+K]+ 329.01638 168.8
[M-H]- 289.04594 170.0
[M+Na-2H]- 311.02789 173.8
[M]+ 290.05267 169.4
[M]- 290.05377 169.4
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.