CID 1523236

Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-methylphenoxy)-

Structural Information

Molecular Formula
C15H14O4
SMILES
CC1=CC=CC=C1OCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O4/c1-10-4-2-3-5-15(10)19-9-14(18)12-7-6-11(16)8-13(12)17/h2-8,16-17H,9H2,1H3
InChIKey
IAUKIQGZHPZVRS-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(2-methylphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 156.2
[M+Na]+ 281.07842 164.0
[M-H]- 257.08192 160.9
[M+NH4]+ 276.12302 171.7
[M+K]+ 297.05236 160.5
[M+H-H2O]+ 241.08646 149.2
[M+HCOO]- 303.08740 177.3
[M+CH3COO]- 317.10305 191.8
[M+Na-2H]- 279.06387 159.5
[M]+ 258.08865 157.6
[M]- 258.08975 157.6
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