CID 139596046

N-[3-(dimethylamino)propyl]-perfluoropropane-1-sulfonamide

Structural Information

Molecular Formula
C8H13F7N2O2S
SMILES
CN(C)CCCNS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H13F7N2O2S/c1-17(2)5-3-4-16-20(18,19)8(14,15)6(9,10)7(11,12)13/h16H,3-5H2,1-2H3
InChIKey
MHWKVXOZNXDWGM-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,3-heptafluoropropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

334.0586 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.06588 161.6
[M+Na]+ 357.04782 168.0
[M-H]- 333.05132 154.0
[M+NH4]+ 352.09242 175.1
[M+K]+ 373.02176 166.0
[M+H-H2O]+ 317.05586 150.3
[M+HCOO]- 379.05680 168.9
[M+CH3COO]- 393.07245 213.0
[M+Na-2H]- 355.03327 164.4
[M]+ 334.05805 155.0
[M]- 334.05915 155.0
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.