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

4
Patents

225.93149 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.93877 131.8
[M+Na]+ 248.92071 141.9
[M-H]- 224.92421 138.3
[M+NH4]+ 243.96531 148.8
[M+K]+ 264.89465 146.3
[M+H-H2O]+ 208.92875 127.4
[M+HCOO]- 270.92969 156.9
[M+CH3COO]- 284.94534 182.6
[M+Na-2H]- 246.90616 135.6
[M]+ 225.93094 135.9
[M]- 225.93204 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