CID 172636049

Chebi:138603

Structural Information

Molecular Formula
C6H7O7P
SMILES
C1C(=C(C(=O)O1)C=O)COP(=O)(O)O
InChI
InChI=1S/C6H7O7P/c7-1-5-4(2-12-6(5)8)3-13-14(9,10)11/h1H,2-3H2,(H2,9,10,11)
InChIKey
OCYLKPLQOMMORD-UHFFFAOYSA-N
Compound name
(4-formyl-5-oxo-2H-furan-3-yl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.99294 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.00022 139.8
[M+Na]+ 244.98216 148.1
[M-H]- 220.98566 140.7
[M+NH4]+ 240.02676 157.6
[M+K]+ 260.95610 148.7
[M+H-H2O]+ 204.99020 133.3
[M+HCOO]- 266.99114 166.1
[M+CH3COO]- 281.00679 179.5
[M+Na-2H]- 242.96761 143.5
[M]+ 221.99239 144.2
[M]- 221.99349 144.2
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.