CID 165364763

6:2 ftsy-(2)ohpr-trimeam

Structural Information

Molecular Formula
C14H19F13NO3S
SMILES
C[N+](C)(C)CC(CS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C14H19F13NO3S/c1-28(2,3)6-8(29)7-32(30,31)5-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8,29H,4-7H2,1-3H3/q+1
InChIKey
YMYHURDNTSYPKF-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.0878 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.09508 198.7
[M+Na]+ 551.07702 202.5
[M-H]- 527.08052 206.1
[M+NH4]+ 546.12162 207.8
[M+K]+ 567.05096 208.9
[M+H-H2O]+ 511.08506 182.9
[M+HCOO]- 573.08600 217.9
[M+CH3COO]- 587.10165 235.5
[M+Na-2H]- 549.06247 193.1
[M]+ 528.08725 198.4
[M]- 528.08835 198.4
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.