CID 3085642

71850-73-2

Structural Information

Molecular Formula
C16H16O2
SMILES
CCOCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-2-18-12-13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
InChIKey
BOKVHSQSGCOCNG-UHFFFAOYSA-N
Compound name
[4-(ethoxymethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

240.11504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.3
[M+Na]+ 263.10426 170.1
[M+NH4]+ 258.14886 164.2
[M+K]+ 279.07820 161.8
[M-H]- 239.10776 160.1
[M+Na-2H]- 261.08971 165.1
[M]+ 240.11449 158.9
[M]- 240.11559 158.9
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