CID 382512

Nsc670119

Structural Information

Molecular Formula
C9H9F6O6P
SMILES
C1C2(COP(=O)(O1)OC2)COC(=O)C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H9F6O6P/c10-8(11,12)5(9(13,14)15)6(16)18-1-7-2-19-22(17,20-3-7)21-4-7/h5H,1-4H2
InChIKey
MLZYGZYTMKMZRR-UHFFFAOYSA-N
Compound name
(1-oxo-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octan-4-yl)methyl 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0041 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.01138 178.0
[M+Na]+ 380.99332 184.1
[M-H]- 356.99682 168.1
[M+NH4]+ 376.03792 194.9
[M+K]+ 396.96726 186.8
[M+H-H2O]+ 341.00136 167.6
[M+HCOO]- 403.00230 182.2
[M+CH3COO]- 417.01795 211.1
[M+Na-2H]- 378.97877 187.9
[M]+ 358.00355 178.1
[M]- 358.00465 178.1
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.