CID 5709318

2',3,4-trihydroxychalcone

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C15H12O4/c16-12-4-2-1-3-11(12)13(17)7-5-10-6-8-14(18)15(19)9-10/h1-9,16,18-19H/b7-5+
InChIKey
PSYVAIWGYVDYHN-FNORWQNLSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

38
Patents

256.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.8
[M+Na]+ 279.06277 163.5
[M-H]- 255.06627 159.1
[M+NH4]+ 274.10737 170.6
[M+K]+ 295.03671 158.6
[M+H-H2O]+ 239.07081 149.2
[M+HCOO]- 301.07175 175.5
[M+CH3COO]- 315.08740 188.1
[M+Na-2H]- 277.04822 158.6
[M]+ 256.07300 154.5
[M]- 256.07410 154.5
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