CID 378257

Nsc660150

Structural Information

Molecular Formula
C13H15O6P
SMILES
CCOP(=O)(C1=CC2=C(C=CC(=C2)O)OC1=O)OCC
InChI
InChI=1S/C13H15O6P/c1-3-17-20(16,18-4-2)12-8-9-7-10(14)5-6-11(9)19-13(12)15/h5-8,14H,3-4H2,1-2H3
InChIKey
UTDNFPGHLMHWTI-UHFFFAOYSA-N
Compound name
3-diethoxyphosphoryl-6-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.06064 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06792 164.6
[M+Na]+ 321.04986 173.6
[M-H]- 297.05336 167.9
[M+NH4]+ 316.09446 179.7
[M+K]+ 337.02380 173.2
[M+H-H2O]+ 281.05790 155.9
[M+HCOO]- 343.05884 190.2
[M+CH3COO]- 357.07449 200.4
[M+Na-2H]- 319.03531 169.6
[M]+ 298.06009 172.5
[M]- 298.06119 172.5
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

No patent data available for this compound.