CID 20833257

Quercetin-3'-o-phosphate

Structural Information

Molecular Formula
C15H11O10P
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OP(=O)(O)O)O
InChI
InChI=1S/C15H11O10P/c16-7-4-9(18)12-11(5-7)24-15(14(20)13(12)19)6-1-2-8(17)10(3-6)25-26(21,22)23/h1-5,16-18,20H,(H2,21,22,23)
InChIKey
UWJBYNLLMAPJMM-UHFFFAOYSA-N
Compound name
[2-hydroxy-5-(3,5,7-trihydroxy-4-oxochromen-2-yl)phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

382.00897 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.01625 180.5
[M+Na]+ 404.99819 189.1
[M-H]- 381.00169 181.6
[M+NH4]+ 400.04279 188.2
[M+K]+ 420.97213 188.4
[M+H-H2O]+ 365.00623 170.8
[M+HCOO]- 427.00717 199.0
[M+CH3COO]- 441.02282 208.3
[M+Na-2H]- 402.98364 182.9
[M]+ 382.00842 184.2
[M]- 382.00952 184.2
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