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 214.4
[M+Na]+ 473.00982 215.1
[M-H]- 449.01332 239.3
[M+NH4]+ 468.05442 239.1
[M+K]+ 488.98376 216.3
[M+H-H2O]+ 433.01786 214.8
[M+HCOO]- 495.01880 230.9
[M+CH3COO]- 509.03445 213.8
[M+Na-2H]- 470.99527 218.9
[M]+ 450.02005 215.1
[M]- 450.02115 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