CID 138005

3669-41-8

Structural Information

Molecular Formula
C14H12O3
SMILES
C1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2
InChIKey
VFQKAJVKZKHVPD-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

161
Patents

228.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08592 148.9
[M+Na]+ 251.06786 156.4
[M-H]- 227.07136 153.4
[M+NH4]+ 246.11246 165.5
[M+K]+ 267.04180 152.4
[M+H-H2O]+ 211.07590 142.3
[M+HCOO]- 273.07684 170.2
[M+CH3COO]- 287.09249 185.4
[M+Na-2H]- 249.05331 153.5
[M]+ 228.07809 148.1
[M]- 228.07919 148.1
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