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

438
Patents

320.0052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.012476 192.9
[M+Na]+ 342.994418 195.9
[M-H]- 318.997924 200.8
[M+NH4]+ 338.039023 202.8
[M+K]+ 358.968358 191.1
[M+H-H2O]+ 303.002460 189.6
[M+HCOO]- 365.003401 205.8
[M+CH3COO]- 379.019051 186.5
[M+Na-2H]- 340.979866 195.7
[M]+ 320.00465142 181.5
[M]- 320.00574858 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