CID 131726675

Xlegjcwuxkrkjn-uhfffaoysa-m

Structural Information

Molecular Formula
C13H18F9NO4S
SMILES
CCCN(CCCCCC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H18F9NO4S/c1-2-7-23(8-5-3-4-6-9(24)25)28(26,27)13(21,22)11(16,17)10(14,15)12(18,19)20/h2-8H2,1H3,(H,24,25)
InChIKey
JPOOMGCVOWFQLQ-UHFFFAOYSA-N
Compound name
6-[1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl(propyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

455.08127 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.08855 202.7
[M+Na]+ 478.07049 201.4
[M+NH4]+ 473.11509 200.6
[M+K]+ 494.04443 199.0
[M-H]- 454.07399 193.4
[M+Na-2H]- 476.05594 197.8
[M]+ 455.08072 199.6
[M]- 455.08182 199.6
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

No patent data available for this compound.