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]+ 241.12232 154.5
[M+Na]+ 263.10426 160.9
[M-H]- 239.10776 161.1
[M+NH4]+ 258.14886 171.7
[M+K]+ 279.07820 158.0
[M+H-H2O]+ 223.11230 147.1
[M+HCOO]- 285.11324 176.9
[M+CH3COO]- 299.12889 194.1
[M+Na-2H]- 261.08971 158.4
[M]+ 240.11449 155.6
[M]- 240.11559 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.