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

literature stripe

Patent stripe

patents stripe