CID 265771

2-oxo-2h-chromen-3-ylphosphonic acid

Structural Information

Molecular Formula
C9H7O5P
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)P(=O)(O)O
InChI
InChI=1S/C9H7O5P/c10-9-8(15(11,12)13)5-6-3-1-2-4-7(6)14-9/h1-5H,(H2,11,12,13)
InChIKey
JWJVZTRWTJHSOG-UHFFFAOYSA-N
Compound name
(2-oxochromen-3-yl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

226.00311 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01039 143.9
[M+Na]+ 248.99233 153.7
[M-H]- 224.99583 146.3
[M+NH4]+ 244.03693 161.1
[M+K]+ 264.96627 152.4
[M+H-H2O]+ 209.00037 136.4
[M+HCOO]- 271.00131 169.3
[M+CH3COO]- 285.01696 182.4
[M+Na-2H]- 246.97778 151.0
[M]+ 226.00256 146.7
[M]- 226.00366 146.7
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