CID 61023736

2-(methylsulfanyl)-1-[4-(propan-2-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C12H16OS
SMILES
CC(C)C1=CC=C(C=C1)C(=O)CSC
InChI
InChI=1S/C12H16OS/c1-9(2)10-4-6-11(7-5-10)12(13)8-14-3/h4-7,9H,8H2,1-3H3
InChIKey
VYTCQRPOMRMTEP-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-1-(4-propan-2-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0922 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09948 145.6
[M+Na]+ 231.08142 152.5
[M-H]- 207.08492 149.3
[M+NH4]+ 226.12602 165.2
[M+K]+ 247.05536 149.8
[M+H-H2O]+ 191.08946 139.7
[M+HCOO]- 253.09040 162.2
[M+CH3COO]- 267.10605 188.2
[M+Na-2H]- 229.06687 146.0
[M]+ 208.09165 148.7
[M]- 208.09275 148.7
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.