CID 383563

Nsc671981

Structural Information

Molecular Formula
C13H15F6N3O3S
SMILES
CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NNS(=O)(=O)C1=CC=C(C=C1)C
InChI
InChI=1S/C13H15F6N3O3S/c1-3-10(23)20-11(12(14,15)16,13(17,18)19)21-22-26(24,25)9-6-4-8(2)5-7-9/h4-7,21-22H,3H2,1-2H3,(H,20,23)
InChIKey
ZAUUUQFEMMYOMK-UHFFFAOYSA-N
Compound name
N-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methylphenyl)sulfonylhydrazinyl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.07382 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.08110 180.4
[M+Na]+ 430.06304 185.9
[M-H]- 406.06654 175.7
[M+NH4]+ 425.10764 190.0
[M+K]+ 446.03698 181.8
[M+H-H2O]+ 390.07108 168.6
[M+HCOO]- 452.07202 188.7
[M+CH3COO]- 466.08767 224.0
[M+Na-2H]- 428.04849 184.6
[M]+ 407.07327 173.3
[M]- 407.07437 173.3
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.