CID 138394410

N:2 ftsoham n=4

Structural Information

Molecular Formula
C16H19F17NOS
SMILES
C[N+](C)(C)CC(CSCCC(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/C16H19F17NOS/c1-34(2,3)6-8(35)7-36-5-4-9(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
VRHKIYMPKNNKRY-UHFFFAOYSA-N
Compound name
[3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylsulfanyl)-2-hydroxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

596.0916 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.09888 216.0
[M+Na]+ 619.08082 218.8
[M-H]- 595.08432 222.0
[M+NH4]+ 614.12542 224.2
[M+K]+ 635.05476 228.6
[M+H-H2O]+ 579.08886 199.1
[M+HCOO]- 641.08980 232.6
[M+CH3COO]- 655.10545 249.1
[M+Na-2H]- 617.06627 209.9
[M]+ 596.09105 213.9
[M]- 596.09215 213.9
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.