CID 4126505

14815-59-9

Structural Information

Molecular Formula
C20H15O7P
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)OP(=O)(O)O
InChI
InChI=1S/C20H15O7P/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25/h1-12,21H,(H2,23,24,25)
InChIKey
NEMOXUWHWHQWJM-UHFFFAOYSA-N
Compound name
[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

723
Patents

398.05554 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.06282 187.5
[M+Na]+ 421.04476 199.8
[M+NH4]+ 416.08936 194.1
[M+K]+ 437.01870 195.7
[M-H]- 397.04826 191.5
[M+Na-2H]- 419.03021 194.6
[M]+ 398.05499 190.3
[M]- 398.05609 190.3
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

patents stripe