CID 5200300

1-{4-[(2-methylphenyl)methoxy]phenyl}ethan-1-one

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=CC=CC=C1COC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C16H16O2/c1-12-5-3-4-6-15(12)11-18-16-9-7-14(8-10-16)13(2)17/h3-10H,11H2,1-2H3
InChIKey
KZVLLUQPERUMCL-UHFFFAOYSA-N
Compound name
1-[4-[(2-methylphenyl)methoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

240.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 154.8
[M+Na]+ 263.10426 170.0
[M+NH4]+ 258.14886 163.7
[M+K]+ 279.07820 161.9
[M-H]- 239.10776 159.7
[M+Na-2H]- 261.08971 164.4
[M]+ 240.11449 158.5
[M]- 240.11559 158.5
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