CID 388364

Nsc683259

Structural Information

Molecular Formula
C6H6F2N4O11
SMILES
C(COC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/C6H6F2N4O11/c7-5(9(14)15,10(16)17)1-2-22-4(13)23-3-6(8,11(18)19)12(20)21/h1-3H2
InChIKey
ZPHHHIDBVROPBD-UHFFFAOYSA-N
Compound name
(2-fluoro-2,2-dinitroethyl) (3-fluoro-3,3-dinitropropyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.00012 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.00740 191.3
[M+Na]+ 370.98934 194.5
[M-H]- 346.99284 201.2
[M+NH4]+ 366.03394 203.1
[M+K]+ 386.96328 193.0
[M+H-H2O]+ 330.99738 191.5
[M+HCOO]- 392.99832 202.0
[M+CH3COO]- 407.01397 188.5
[M+Na-2H]- 368.97479 197.4
[M]+ 347.99957 179.7
[M]- 348.00067 179.7
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.