CID 170131

38850-52-1

Structural Information

Molecular Formula
C14H18F13N2O4S
SMILES
C[N+](C)(C)CCCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H17F13N2O4S/c1-29(2,3)6-4-5-28(7-8(30)31)34(32,33)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25/h4-7H2,1-3H3/p+1
InChIKey
PHLQZHXBMDKUNG-UHFFFAOYSA-O
Compound name
3-[carboxymethyl(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.07794 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.08522 164.5
[M+Na]+ 580.06716 165.2
[M+NH4]+ 575.11176 165.6
[M+K]+ 596.04110 165.8
[M-H]- 556.07066 164.3
[M+Na-2H]- 578.05261 163.8
[M]+ 557.07739 164.9
[M]- 557.07849 164.9
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.