CID 12137520

1-(2,4-dihydroxyphenyl)-2-p-tolylethanone

Structural Information

Molecular Formula
C15H14O3
SMILES
CC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O3/c1-10-2-4-11(5-3-10)8-14(17)13-7-6-12(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
InChIKey
QWJBLSOLPSJDRG-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

242.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 154.4
[M+Na]+ 265.08352 168.5
[M+NH4]+ 260.12812 162.1
[M+K]+ 281.05746 162.0
[M-H]- 241.08702 157.7
[M+Na-2H]- 263.06897 162.2
[M]+ 242.09375 157.4
[M]- 242.09485 157.4
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