CID 3021912

Dtxsid201036709

Structural Information

Molecular Formula
C14H15F17NO
SMILES
C[N+](C)(C)CC(CC(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/C14H15F17NO/c1-32(2,3)5-6(33)4-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6,33H,4-5H2,1-3H3/q+1
InChIKey
MIQUYSXCUNTUKU-UHFFFAOYSA-N
Compound name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

536.0882 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.09548 199.5
[M+Na]+ 559.07742 204.5
[M-H]- 535.08092 209.1
[M+NH4]+ 554.12202 208.7
[M+K]+ 575.05136 212.6
[M+H-H2O]+ 519.08546 183.2
[M+HCOO]- 581.08640 218.2
[M+CH3COO]- 595.10205 241.7
[M+Na-2H]- 557.06287 196.0
[M]+ 536.08765 196.2
[M]- 536.08875 196.2
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.