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

46
Patents

450.0206 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.027876 214.4
[M+Na]+ 473.009818 215.1
[M-H]- 449.013324 239.3
[M+NH4]+ 468.054423 239.1
[M+K]+ 488.983758 216.3
[M+H-H2O]+ 433.017860 214.8
[M+HCOO]- 495.018801 230.9
[M+CH3COO]- 509.034451 213.8
[M+Na-2H]- 470.995266 218.9
[M]+ 450.02005142 215.1
[M]- 450.02114858 215.1
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