CID 44258152

Luteolin 4'-sulfate

Structural Information

Molecular Formula
C15H10O9S
SMILES
C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)OS(=O)(=O)O
InChI
InChI=1S/C15H10O9S/c16-8-4-10(18)15-11(19)6-13(23-14(15)5-8)7-1-2-12(9(17)3-7)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)
InChIKey
MCJCSFGCQMESFL-UHFFFAOYSA-N
Compound name
[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

366.00455 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01183 173.8
[M+Na]+ 388.99377 183.7
[M-H]- 364.99727 178.4
[M+NH4]+ 384.03837 183.6
[M+K]+ 404.96771 181.3
[M+H-H2O]+ 349.00181 167.0
[M+HCOO]- 411.00275 186.1
[M+CH3COO]- 425.01840 204.1
[M+Na-2H]- 386.97922 179.6
[M]+ 366.00400 180.4
[M]- 366.00510 180.4
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