CID 25244336

4-(phosphooxymethyl)-2-furancarboxaldehyde(2-)

Structural Information

Molecular Formula
C6H7O6P
SMILES
C1=C(OC=C1COP(=O)(O)O)C=O
InChI
InChI=1S/C6H7O6P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1-3H,4H2,(H2,8,9,10)
InChIKey
XUMMAWMKFFMZAH-UHFFFAOYSA-N
Compound name
(5-formylfuran-3-yl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

205.99803 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00531 138.9
[M+Na]+ 228.98725 147.2
[M-H]- 204.99075 139.8
[M+NH4]+ 224.03185 157.3
[M+K]+ 244.96119 147.6
[M+H-H2O]+ 188.99529 132.1
[M+HCOO]- 250.99623 166.2
[M+CH3COO]- 265.01188 176.4
[M+Na-2H]- 226.97270 143.5
[M]+ 205.99748 143.5
[M]- 205.99858 143.5
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