CID 71645

Mexenone

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O
InChI
InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16/h3-9,16H,1-2H3
InChIKey
MJVGBKJNTFCUJM-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

12646
Patents

242.0943 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 153.7
[M+Na]+ 265.08352 168.4
[M+NH4]+ 260.12812 161.9
[M+K]+ 281.05746 161.6
[M-H]- 241.08702 157.6
[M+Na-2H]- 263.06897 162.2
[M]+ 242.09375 157.0
[M]- 242.09485 157.0
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