CID 126961227

Chebi:139472

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC(=CC=C1C2=C([C@H](C3=C(C=C(C=C3O2)O)O)O)O)O
InChI
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/t13-/m0/s1
InChIKey
GMICVRNSOOSANN-ZDUSSCGKSA-N
Compound name
(4S)-2-(4-hydroxyphenyl)-4H-chromene-3,4,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

288.0634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.070676 161.6
[M+Na]+ 311.052618 170.8
[M-H]- 287.056124 164.8
[M+NH4]+ 306.097223 174.0
[M+K]+ 327.026558 167.4
[M+H-H2O]+ 271.060660 155.0
[M+HCOO]- 333.061601 176.4
[M+CH3COO]- 347.077251 192.4
[M+Na-2H]- 309.038066 165.9
[M]+ 288.06285142 161.2
[M]- 288.06394858 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe