CID 129318293

3-(1-methoxyethyl)benzophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.122316 154.5
[M+Na]+ 263.104258 160.9
[M-H]- 239.107764 161.1
[M+NH4]+ 258.148863 171.7
[M+K]+ 279.078198 158.0
[M+H-H2O]+ 223.112300 147.1
[M+HCOO]- 285.113241 176.9
[M+CH3COO]- 299.128891 194.1
[M+Na-2H]- 261.089706 158.4
[M]+ 240.11449142 155.6
[M]- 240.11558858 155.6
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.