CID 2824685

270086-91-4

Structural Information

Molecular Formula
C16H15ClOS
SMILES
CC1=CC=C(C=C1)SCCC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H15ClOS/c1-12-2-8-15(9-3-12)19-11-10-16(18)13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3
InChIKey
KANGNWFYCBSPHT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfanylpropan-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 162.9
[M+Na]+ 313.04244 171.5
[M-H]- 289.04594 169.8
[M+NH4]+ 308.08704 180.1
[M+K]+ 329.01638 165.0
[M+H-H2O]+ 273.05048 156.6
[M+HCOO]- 335.05142 176.4
[M+CH3COO]- 349.06707 199.7
[M+Na-2H]- 311.02789 164.0
[M]+ 290.05267 167.9
[M]- 290.05377 167.9
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.