CID 139595892

Qapfsmi n=7

Structural Information

Molecular Formula
C17H24F15N2O6S2
SMILES
C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO
InChI
InChI=1S/C17H23F15N2O6S2/c1-34(2,8-9-35)7-3-5-33(6-4-10-41(36,37)38)42(39,40)17(31,32)15(26,27)13(22,23)11(18,19)12(20,21)14(24,25)16(28,29)30/h35H,3-10H2,1-2H3/p+1
InChIKey
LGHFBKYMMQYVND-UHFFFAOYSA-O
Compound name
2-hydroxyethyl-dimethyl-[3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl(3-sulfopropyl)amino]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

701.0836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 702.09088 219.2
[M+Na]+ 724.07282 220.1
[M-H]- 700.07632 230.6
[M+NH4]+ 719.11742 230.6
[M+K]+ 740.04676 230.0
[M+H-H2O]+ 684.08086 200.8
[M+HCOO]- 746.08180 235.2
[M+CH3COO]- 760.09745 257.6
[M+Na-2H]- 722.05827 212.4
[M]+ 701.08305 220.1
[M]- 701.08415 220.1
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.