CID 110558

68555-77-1

Structural Information

Molecular Formula
C9H13F9N2O2S
SMILES
CN(C)CCCNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H13F9N2O2S/c1-20(2)5-3-4-19-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16/h19H,3-5H2,1-2H3
InChIKey
XMRMVBVJGSKMEN-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

384.0554 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06268 193.4
[M+Na]+ 407.04462 192.6
[M+NH4]+ 402.08922 192.1
[M+K]+ 423.01856 190.1
[M-H]- 383.04812 185.0
[M+Na-2H]- 405.03007 189.6
[M]+ 384.05485 190.6
[M]- 384.05595 190.6
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

patents stripe