CID 24950968

834885-04-0

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=CC(=CC(=C1)OC2=CC=C(C=C2)C(=O)C)C
InChI
InChI=1S/C16H16O2/c1-11-8-12(2)10-16(9-11)18-15-6-4-14(5-7-15)13(3)17/h4-10H,1-3H3
InChIKey
HRUQYPGGAWPOSH-UHFFFAOYSA-N
Compound name
1-[4-(3,5-dimethylphenoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 153.1
[M+Na]+ 263.10426 161.7
[M-H]- 239.10776 160.5
[M+NH4]+ 258.14886 171.1
[M+K]+ 279.07820 158.5
[M+H-H2O]+ 223.11230 146.0
[M+HCOO]- 285.11324 176.5
[M+CH3COO]- 299.12889 195.6
[M+Na-2H]- 261.08971 156.9
[M]+ 240.11449 155.7
[M]- 240.11559 155.7
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.