CID 677577

1-(2,4-dihydroxyphenyl)-2-phenoxyethanone

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C14H12O4/c15-10-6-7-12(13(16)8-10)14(17)9-18-11-4-2-1-3-5-11/h1-8,15-16H,9H2
InChIKey
TZMXCFNRWDJQJM-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-phenoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

244.07356 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.0
[M+Na]+ 267.06278 159.3
[M-H]- 243.06628 156.4
[M+NH4]+ 262.10738 167.7
[M+K]+ 283.03672 155.9
[M+H-H2O]+ 227.07082 145.0
[M+HCOO]- 289.07176 173.4
[M+CH3COO]- 303.08741 187.6
[M+Na-2H]- 265.04823 156.5
[M]+ 244.07301 152.5
[M]- 244.07411 152.5
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