CID 139594618

Pfsmbtb n=3

Structural Information

Molecular Formula
C11H18F7N2O4S
SMILES
C[N+](C)(CCCNS(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CCC(=O)O
InChI
InChI=1S/C11H17F7N2O4S/c1-20(2,7-4-8(21)22)6-3-5-19-25(23,24)11(17,18)9(12,13)10(14,15)16/h19H,3-7H2,1-2H3/p+1
InChIKey
CTCVZYAGLGZONY-UHFFFAOYSA-O
Compound name
2-carboxyethyl-[3-(1,1,2,2,3,3,3-heptafluoropropylsulfonylamino)propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.08755 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.09483 182.1
[M+Na]+ 430.07677 188.7
[M-H]- 406.08027 187.5
[M+NH4]+ 425.12137 187.5
[M+K]+ 446.05071 186.6
[M+H-H2O]+ 390.08481 162.2
[M+HCOO]- 452.08575 201.1
[M+CH3COO]- 466.10140 215.1
[M+Na-2H]- 428.06222 177.7
[M]+ 407.08700 180.1
[M]- 407.08810 180.1
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.