CID 3084800

40696-41-1

Structural Information

Molecular Formula
C7H8F2N4O11
SMILES
C(C(=O)COCC([N+](=O)[O-])([N+](=O)[O-])F)OCC([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/C7H8F2N4O11/c8-6(10(15)16,11(17)18)3-23-1-5(14)2-24-4-7(9,12(19)20)13(21)22/h1-4H2
InChIKey
QRUILNXXPDJUCR-UHFFFAOYSA-N
Compound name
1,3-bis(2-fluoro-2,2-dinitroethoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.01578 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.02306 177.6
[M+Na]+ 385.00500 182.0
[M+NH4]+ 380.04960 186.1
[M+K]+ 400.97894 192.2
[M-H]- 361.00850 175.9
[M+Na-2H]- 382.99045 175.9
[M]+ 362.01523 180.2
[M]- 362.01633 180.2
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