CID 88647

20677-77-4

Structural Information

Molecular Formula
C5H4F2N4O11
SMILES
C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/C5H4F2N4O11/c6-4(8(13)14,9(15)16)1-21-3(12)22-2-5(7,10(17)18)11(19)20/h1-2H2
InChIKey
BPMXMXFLNKOZJI-UHFFFAOYSA-N
Compound name
bis(2-fluoro-2,2-dinitroethyl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

333.98447 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.99175 187.8
[M+Na]+ 356.97369 191.2
[M-H]- 332.97719 198.0
[M+NH4]+ 352.01829 199.7
[M+K]+ 372.94763 190.7
[M+H-H2O]+ 316.98173 189.2
[M+HCOO]- 378.98267 199.0
[M+CH3COO]- 392.99832 186.0
[M+Na-2H]- 354.95914 195.3
[M]+ 333.98392 176.5
[M]- 333.98502 176.5
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

No patent data available for this compound.