CID 3085642

Methanone, (4-(ethoxymethyl)phenyl)phenyl-

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

8
Patents

240.11504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 154.6
[M+Na]+ 263.104258 161.2
[M-H]- 239.107764 161.1
[M+NH4]+ 258.148863 171.8
[M+K]+ 279.078198 157.9
[M+H-H2O]+ 223.112300 147.0
[M+HCOO]- 285.113241 178.0
[M+CH3COO]- 299.128891 193.2
[M+Na-2H]- 261.089706 159.7
[M]+ 240.11449142 156.3
[M]- 240.11558858 156.3
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