CID 11208600

1,1,2,2,3,3-hexafluoropropane-1,3-disulfonimide

Structural Information

Molecular Formula
C3HF6NO4S2
SMILES
C1(C(S(=O)(=O)NS(=O)(=O)C1(F)F)(F)F)(F)F
InChI
InChI=1S/C3HF6NO4S2/c4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h10H
InChIKey
WOAGDWWRYOZHDS-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1975
Patents

292.9251 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.93238 125.2
[M+Na]+ 315.91432 138.2
[M-H]- 291.91782 119.0
[M+NH4]+ 310.95892 147.9
[M+K]+ 331.88826 134.7
[M+H-H2O]+ 275.92236 120.8
[M+HCOO]- 337.92330 128.7
[M+CH3COO]- 351.93895 189.7
[M+Na-2H]- 313.89977 132.9
[M]+ 292.92455 121.7
[M]- 292.92565 121.7
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