CID 86225

1,1,2,2,3,3,3-heptafluoro-n-methyl-n-(oxiran-2-ylmethyl)propane-1-sulfonamide

Structural Information

Molecular Formula
C7H8F7NO3S
SMILES
CN(CC1CO1)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H8F7NO3S/c1-15(2-4-3-18-4)19(16,17)7(13,14)5(8,9)6(10,11)12/h4H,2-3H2,1H3
InChIKey
JAOBVHBUPGQEIG-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,3-heptafluoro-N-methyl-N-(oxiran-2-ylmethyl)propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.01132 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.01860 144.0
[M+Na]+ 342.00054 152.6
[M-H]- 318.00404 141.6
[M+NH4]+ 337.04514 152.6
[M+K]+ 357.97448 151.0
[M+H-H2O]+ 302.00858 132.3
[M+HCOO]- 364.00952 151.0
[M+CH3COO]- 378.02517 207.9
[M+Na-2H]- 339.98599 149.4
[M]+ 319.01077 141.5
[M]- 319.01187 141.5
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.