CID 38839

Methoxyphenone

Structural Information

Molecular Formula
C16H16O2
SMILES
CC1=CC(=CC=C1)C(=O)C2=CC(=C(C=C2)OC)C
InChI
InChI=1S/C16H16O2/c1-11-5-4-6-13(9-11)16(17)14-7-8-15(18-3)12(2)10-14/h4-10H,1-3H3
InChIKey
BWPYBAJTDILQPY-UHFFFAOYSA-N
Compound name
(4-methoxy-3-methylphenyl)-(3-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17060
Patents

240.11504 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 153.1
[M+Na]+ 263.10426 161.7
[M-H]- 239.10776 160.5
[M+NH4]+ 258.14886 171.1
[M+K]+ 279.07820 158.5
[M+H-H2O]+ 223.11230 146.0
[M+HCOO]- 285.11324 176.5
[M+CH3COO]- 299.12889 195.6
[M+Na-2H]- 261.08971 156.9
[M]+ 240.11449 155.7
[M]- 240.11559 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe