CID 89689194

678966-16-0

Structural Information

Molecular Formula
C4FO8P
SMILES
C1(=O)C(=O)OP2(O1)(OC(=O)C(=O)O2)F
InChI
InChI=1S/C4FO8P/c5-14(10-1(6)2(7)11-14)12-3(8)4(9)13-14
InChIKey
CBIHBEOEGKLGDG-UHFFFAOYSA-N
Compound name
5-fluoro-1,4,6,9-tetraoxa-5lambda5-phosphaspiro[4.4]nonane-2,3,7,8-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

225.93149 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.938766 131.8
[M+Na]+ 248.920708 141.9
[M-H]- 224.924214 138.3
[M+NH4]+ 243.965313 148.8
[M+K]+ 264.894648 146.3
[M+H-H2O]+ 208.928750 127.4
[M+HCOO]- 270.929691 156.9
[M+CH3COO]- 284.945341 182.6
[M+Na-2H]- 246.906156 135.6
[M]+ 225.93094142 135.9
[M]- 225.93203858 135.9
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