CID 388158

Nsc682722

Structural Information

Molecular Formula
C16H13O6P
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC(=C3O2)CP(=O)(O)O)O
InChI
InChI=1S/C16H13O6P/c17-13-12-8-4-7-11(9-23(19,20)21)15(12)22-16(14(13)18)10-5-2-1-3-6-10/h1-8,18H,9H2,(H2,19,20,21)
InChIKey
NILYJTDVJSAJGI-UHFFFAOYSA-N
Compound name
(3-hydroxy-4-oxo-2-phenylchromen-8-yl)methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.04498 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05226 174.2
[M+Na]+ 355.03420 182.9
[M-H]- 331.03770 178.3
[M+NH4]+ 350.07880 186.0
[M+K]+ 371.00814 180.1
[M+H-H2O]+ 315.04224 164.5
[M+HCOO]- 377.04318 196.8
[M+CH3COO]- 391.05883 202.5
[M+Na-2H]- 353.01965 178.0
[M]+ 332.04443 176.7
[M]- 332.04553 176.7
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.