CID 44259603

Rhamnetin 3-o-sulfate

Structural Information

Molecular Formula
C16H12O10S
SMILES
COC1=CC(=C2C(=C1)OC(=C(C2=O)OS(=O)(=O)O)C3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C16H12O10S/c1-24-8-5-11(19)13-12(6-8)25-15(7-2-3-9(17)10(18)4-7)16(14(13)20)26-27(21,22)23/h2-6,17-19H,1H3,(H,21,22,23)
InChIKey
ZSMARJBHMMLACO-UHFFFAOYSA-N
Compound name
[2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxochromen-3-yl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0151 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.02238 180.7
[M+Na]+ 419.00432 190.2
[M-H]- 395.00782 185.2
[M+NH4]+ 414.04892 189.2
[M+K]+ 434.97826 188.8
[M+H-H2O]+ 379.01236 173.4
[M+HCOO]- 441.01330 192.6
[M+CH3COO]- 455.02895 211.0
[M+Na-2H]- 416.98977 185.8
[M]+ 396.01455 189.3
[M]- 396.01565 189.3
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

No patent data available for this compound.