CID 329459

70096-91-2

Structural Information

Molecular Formula
C5H4F2N4O10S
SMILES
C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=S)OCC([N+](=O)[O-])([N+](=O)[O-])F
InChI
InChI=1S/C5H4F2N4O10S/c6-4(8(12)13,9(14)15)1-20-3(22)21-2-5(7,10(16)17)11(18)19/h1-2H2
InChIKey
WMUNXAZWYPTWDQ-UHFFFAOYSA-N
Compound name
bis(2-fluoro-2,2-dinitroethoxy)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

349.9616 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.96888 197.7
[M+Na]+ 372.95082 199.7
[M-H]- 348.95432 204.4
[M+NH4]+ 367.99542 208.1
[M+K]+ 388.92476 192.0
[M+H-H2O]+ 332.95886 190.5
[M+HCOO]- 394.95980 207.8
[M+CH3COO]- 408.97545 187.4
[M+Na-2H]- 370.93627 196.5
[M]+ 349.96105 187.2
[M]- 349.96215 187.2
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

No patent data available for this compound.