CID 11775279

1,1,1-trifluoro-n-[s-(trifluoromethyl)-n-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide

Structural Information

Molecular Formula
C3HF9N2O5S3
SMILES
C(F)(F)(F)S(=NS(=O)(=O)C(F)(F)F)(=O)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3HF9N2O5S3/c4-1(5,6)20(15,13-21(16,17)2(7,8)9)14-22(18,19)3(10,11)12/h(H,13,14,15)
InChIKey
JKJIFGIHFQKYBJ-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-[S-(trifluoromethyl)-N-(trifluoromethylsulfonyl)sulfonimidoyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.89038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.89766 169.0
[M+Na]+ 434.87960 175.3
[M-H]- 410.88310 157.6
[M+NH4]+ 429.92420 177.4
[M+K]+ 450.85354 169.3
[M+H-H2O]+ 394.88764 155.3
[M+HCOO]- 456.88858 164.2
[M+CH3COO]- 470.90423 213.9
[M+Na-2H]- 432.86505 175.5
[M]+ 411.88983 158.1
[M]- 411.89093 158.1
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

No patent data available for this compound.