CID 92258068

(2s)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula
C16H14O5
SMILES
CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H14O5/c1-8-11(18)6-14-15(16(8)20)12(19)7-13(21-14)9-2-4-10(17)5-3-9/h2-6,13,17-18,20H,7H2,1H3/t13-/m0/s1
InChIKey
SLFZBNOERHGNMI-ZDUSSCGKSA-N
Compound name
(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.08414 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 162.4
[M+Na]+ 309.07336 171.6
[M-H]- 285.07686 167.8
[M+NH4]+ 304.11796 176.3
[M+K]+ 325.04730 168.3
[M+H-H2O]+ 269.08140 155.6
[M+HCOO]- 331.08234 178.6
[M+CH3COO]- 345.09799 196.8
[M+Na-2H]- 307.05881 166.0
[M]+ 286.08359 162.3
[M]- 286.08469 162.3
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