CID 126961227

Chebi:138950

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]+ 289.07068 161.6
[M+Na]+ 311.05262 170.8
[M-H]- 287.05612 164.8
[M+NH4]+ 306.09722 174.0
[M+K]+ 327.02656 167.4
[M+H-H2O]+ 271.06066 155.0
[M+HCOO]- 333.06160 176.4
[M+CH3COO]- 347.07725 192.4
[M+Na-2H]- 309.03807 165.9
[M]+ 288.06285 161.2
[M]- 288.06395 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