CID 118808

35323-16-1

Structural Information

Molecular Formula
C7H10F2N4O11
SMILES
C(C(COCC([N+](=O)[O-])([N+](=O)[O-])F)O)OCC([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/C7H10F2N4O11/c8-6(10(15)16,11(17)18)3-23-1-5(14)2-24-4-7(9,12(19)20)13(21)22/h5,14H,1-4H2
InChIKey
VVUYYNCEUAAFND-UHFFFAOYSA-N
Compound name
1,3-bis(2-fluoro-2,2-dinitroethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.0314 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03868 199.4
[M+Na]+ 387.02062 200.9
[M-H]- 363.02412 207.8
[M+NH4]+ 382.06522 209.0
[M+K]+ 402.99456 203.2
[M+H-H2O]+ 347.02866 193.6
[M+HCOO]- 409.02960 207.7
[M+CH3COO]- 423.04525 190.8
[M+Na-2H]- 385.00607 199.4
[M]+ 364.03085 186.6
[M]- 364.03195 186.6
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