CID 165364764

8:2 ftsy-(2)ohpr-trimeam

Structural Information

Molecular Formula
C16H19F17NO3S
SMILES
C[N+](C)(C)CC(CS(=O)(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C16H19F17NO3S/c1-34(2,3)6-8(35)7-38(36,37)5-4-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8,35H,4-7H2,1-3H3/q+1
InChIKey
SOUMKNVCJKLXIK-UHFFFAOYSA-N
Compound name
[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfonyl)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.0814 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.08868 214.1
[M+Na]+ 651.07062 216.7
[M-H]- 627.07412 224.3
[M+NH4]+ 646.11522 225.1
[M+K]+ 667.04456 227.0
[M+H-H2O]+ 611.07866 196.5
[M+HCOO]- 673.07960 232.1
[M+CH3COO]- 687.09525 250.3
[M+Na-2H]- 649.05607 208.9
[M]+ 628.08085 213.6
[M]- 628.08195 213.6
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.