CID 805465

2-phenyl-1-(2,3,4-trihydroxyphenyl)ethanone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

244.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.1
[M+Na]+ 267.06278 159.9
[M-H]- 243.06628 155.6
[M+NH4]+ 262.10738 167.5
[M+K]+ 283.03672 155.8
[M+H-H2O]+ 227.07082 145.6
[M+HCOO]- 289.07176 172.0
[M+CH3COO]- 303.08741 186.5
[M+Na-2H]- 265.04823 155.5
[M]+ 244.07301 151.3
[M]- 244.07411 151.3
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