CID 20436298

N-(3-methylaminopropyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-1-hexanesulfonamide

Structural Information

Molecular Formula
C10H11F13N2O2S
SMILES
CNCCCNS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H11F13N2O2S/c1-24-3-2-4-25-28(26,27)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h24-25H,2-4H2,1H3
InChIKey
RZNOCGYUCRRPCI-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-[3-(methylamino)propyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

470.03336 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.04064 168.7
[M+Na]+ 493.02258 175.4
[M-H]- 469.02608 174.8
[M+NH4]+ 488.06718 174.7
[M+K]+ 508.99652 188.2
[M+H-H2O]+ 453.03062 170.9
[M+HCOO]- 515.03156 186.9
[M+CH3COO]- 529.04721 233.5
[M+Na-2H]- 491.00803 189.4
[M]+ 470.03281 166.4
[M]- 470.03391 166.4
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

patents stripe