CID 162641

51379-07-8

Structural Information

Molecular Formula
C20H15O8P
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)(O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C
InChI
InChI=1S/C20H15O8P/c1-11-7-19(21)25-17-9-13(3-5-15(11)17)27-29(23,24)28-14-4-6-16-12(2)8-20(22)26-18(16)10-14/h3-10H,1-2H3,(H,23,24)
InChIKey
FEGSOIMPQDYXJD-UHFFFAOYSA-N
Compound name
bis(4-methyl-2-oxochromen-7-yl) hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

414.05045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.057726 194.1
[M+Na]+ 437.039668 205.3
[M-H]- 413.043174 203.2
[M+NH4]+ 432.084273 203.5
[M+K]+ 453.013608 205.6
[M+H-H2O]+ 397.047710 182.1
[M+HCOO]- 459.048651 218.3
[M+CH3COO]- 473.064301 224.0
[M+Na-2H]- 435.025116 199.9
[M]+ 414.04990142 204.6
[M]- 414.05099858 204.6
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