CID 378371

2h-1-benzopyran-2-one, 7-(phosphonooxy)-

Structural Information

Molecular Formula
C9H7O6P
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OP(=O)(O)O
InChI
InChI=1S/C9H7O6P/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1-5H,(H2,11,12,13)
InChIKey
CVOMRWJNUPHWRW-UHFFFAOYSA-N
Compound name
(2-oxochromen-7-yl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

241.99803 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00531 146.2
[M+Na]+ 264.98725 155.7
[M-H]- 240.99075 148.5
[M+NH4]+ 260.03185 162.6
[M+K]+ 280.96119 155.1
[M+H-H2O]+ 224.99529 138.3
[M+HCOO]- 286.99623 171.7
[M+CH3COO]- 301.01188 184.7
[M+Na-2H]- 262.97270 153.5
[M]+ 241.99748 150.4
[M]- 241.99858 150.4
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