CID 146155822

2358640-18-1

Structural Information

Molecular Formula
C12H15ClO
SMILES
CC(C)C1=CC=C(C=C1)CC(=O)CCl
InChI
InChI=1S/C12H15ClO/c1-9(2)11-5-3-10(4-6-11)7-12(14)8-13/h3-6,9H,7-8H2,1-2H3
InChIKey
SHKBWUPXHSNJOC-UHFFFAOYSA-N
Compound name
1-chloro-3-(4-propan-2-ylphenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08115 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.088426 145.0
[M+Na]+ 233.070368 152.7
[M-H]- 209.073874 148.5
[M+NH4]+ 228.114973 164.9
[M+K]+ 249.044308 148.9
[M+H-H2O]+ 193.078410 140.2
[M+HCOO]- 255.079351 162.6
[M+CH3COO]- 269.095001 188.2
[M+Na-2H]- 231.055816 148.1
[M]+ 210.08060142 148.0
[M]- 210.08169858 148.0
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.