CID 389109

Nsc684794

Structural Information

Molecular Formula
C17H24F6NO5PS
SMILES
CC(C)COP(=O)(C(C(F)(F)F)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1)OCC(C)C
InChI
InChI=1S/C17H24F6NO5PS/c1-12(2)10-28-30(25,29-11-13(3)4)15(16(18,19)20,17(21,22)23)24-31(26,27)14-8-6-5-7-9-14/h5-9,12-13,24H,10-11H2,1-4H3
InChIKey
QZYYWKNKUGBERL-UHFFFAOYSA-N
Compound name
N-[2-[bis(2-methylpropoxy)phosphoryl]-1,1,1,3,3,3-hexafluoropropan-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.1017 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.10898 205.4
[M+Na]+ 522.09092 208.9
[M-H]- 498.09442 199.1
[M+NH4]+ 517.13552 193.3
[M+K]+ 538.06486 206.7
[M+H-H2O]+ 482.09896 191.4
[M+HCOO]- 544.09990 203.2
[M+CH3COO]- 558.11555 236.7
[M+Na-2H]- 520.07637 206.5
[M]+ 499.10115 203.4
[M]- 499.10225 203.4
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.