CID 116568

64245-83-6

Structural Information

Molecular Formula
C7H8F6N6O10
SMILES
C(C(COCC([N+](=O)[O-])([N+](=O)[O-])F)(N(F)F)N(F)F)OCC([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/C7H8F6N6O10/c8-6(16(20)21,17(22)23)3-28-1-5(14(10)11,15(12)13)2-29-4-7(9,18(24)25)19(26)27/h1-4H2
InChIKey
RPDFNWYMPMQRQO-UHFFFAOYSA-N
Compound name
2-N,2-N,2-N',2-N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)propane-2,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

450.0206 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.02788 188.7
[M+Na]+ 473.00982 190.9
[M+NH4]+ 468.05442 194.0
[M+K]+ 488.98376 196.5
[M-H]- 449.01332 187.6
[M+Na-2H]- 470.99527 185.9
[M]+ 450.02005 190.3
[M]- 450.02115 190.3
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