CID 11218672

1-(4-(3,4-dimethylphenoxy)phenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 153.1
[M+Na]+ 263.104258 161.7
[M-H]- 239.107764 160.5
[M+NH4]+ 258.148863 171.1
[M+K]+ 279.078198 158.5
[M+H-H2O]+ 223.112300 146.0
[M+HCOO]- 285.113241 176.5
[M+CH3COO]- 299.128891 195.6
[M+Na-2H]- 261.089706 156.9
[M]+ 240.11449142 155.7
[M]- 240.11558858 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

patents stripe