CID 68071

Pinocembrin

Structural Information

Molecular Formula
C15H12O4
SMILES
C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1
InChIKey
URFCJEUYXNAHFI-ZDUSSCGKSA-N
Compound name
(2S)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

371
References

3106
Patents

256.07355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 154.0
[M+Na]+ 279.062768 162.6
[M-H]- 255.066274 160.2
[M+NH4]+ 274.107373 169.4
[M+K]+ 295.036708 159.4
[M+H-H2O]+ 239.070810 147.1
[M+HCOO]- 301.071751 172.1
[M+CH3COO]- 315.087401 166.2
[M+Na-2H]- 277.048216 160.0
[M]+ 256.07300142 153.0
[M]- 256.07409858 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