CID 640096

Refchem:908677

Structural Information

Molecular Formula
C14H12O4
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
InChIKey
KLFCJXAPIFIIFR-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

104
Patents

244.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.080836 152.1
[M+Na]+ 267.062778 159.9
[M-H]- 243.066284 155.6
[M+NH4]+ 262.107383 167.5
[M+K]+ 283.036718 155.8
[M+H-H2O]+ 227.070820 145.6
[M+HCOO]- 289.071761 172.0
[M+CH3COO]- 303.087411 186.5
[M+Na-2H]- 265.048226 155.5
[M]+ 244.07301142 151.3
[M]- 244.07410858 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