CID 86900

Ethane, 1,1'-[methylenebis(oxy)]bis[2-fluoro-2,2-dinitro-

Structural Information

Molecular Formula
C5H6F2N4O10
SMILES
C(C([N+](=O)[O-])([N+](=O)[O-])F)OCOCC([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/C5H6F2N4O10/c6-4(8(12)13,9(14)15)1-20-3-21-2-5(7,10(16)17)11(18)19/h1-3H2
InChIKey
WSZPRLKJOJINEP-UHFFFAOYSA-N
Compound name
1-fluoro-2-[(2-fluoro-2,2-dinitroethoxy)methoxy]-1,1-dinitroethane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

462
Patents

320.0052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.01248 192.9
[M+Na]+ 342.99442 195.9
[M-H]- 318.99792 200.8
[M+NH4]+ 338.03902 202.8
[M+K]+ 358.96836 191.1
[M+H-H2O]+ 303.00246 189.6
[M+HCOO]- 365.00340 205.8
[M+CH3COO]- 379.01905 186.5
[M+Na-2H]- 340.97987 195.7
[M]+ 320.00465 181.5
[M]- 320.00575 181.5
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