CID 3038536

94088-80-9

Structural Information

Molecular Formula
C14H20F13N2O2S
SMILES
C[N+](C)(C)CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H20F13N2O2S/c1-29(2,3)7-4-6-28-32(30,31)8-5-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h28H,4-8H2,1-3H3/q+1
InChIKey
RFFQBPUGVKNUHQ-UHFFFAOYSA-N
Compound name
trimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

527.10376 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.11104 201.8
[M+Na]+ 550.09298 207.2
[M-H]- 526.09648 209.4
[M+NH4]+ 545.13758 210.0
[M+K]+ 566.06692 212.3
[M+H-H2O]+ 510.10102 185.5
[M+HCOO]- 572.10196 222.9
[M+CH3COO]- 586.11761 240.0
[M+Na-2H]- 548.07843 196.2
[M]+ 527.10321 200.2
[M]- 527.10431 200.2
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.