CID 114829

Liquiritigenin

Structural Information

Molecular Formula
C15H12O4
SMILES
C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
InChIKey
FURUXTVZLHCCNA-AWEZNQCLSA-N
Compound name
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

326
References

3189
Patents

256.07355 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 154.0
[M+Na]+ 279.06277 162.6
[M-H]- 255.06627 160.2
[M+NH4]+ 274.10737 169.4
[M+K]+ 295.03671 159.4
[M+H-H2O]+ 239.07081 147.1
[M+HCOO]- 301.07175 172.1
[M+CH3COO]- 315.08740 166.2
[M+Na-2H]- 277.04822 160.0
[M]+ 256.07300 153.0
[M]- 256.07410 153.0
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