CID 13507558

Dtxsid001034345

Structural Information

Molecular Formula

C₁₅H₁₇F₁₇NO

SMILES

CC[N+](C)(CC)CC(C(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/C15H17F17NO/c1-4-33(3,5-2)6-7(34)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h7,34H,4-6H2,1-3H3/q+1

InChIKey

WFHSZQMFVVLQDJ-UHFFFAOYSA-N

Compound name

diethyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-hydroxydecyl)-methylazanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 550.1039 Da
Monoisotopic Mass: 6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	551.111176	203.1
[M+Na]+	573.093118	207.9
[M-H]-	549.096624	212.4
[M+NH4]+	568.137723	212.3
[M+K]+	589.067058	216.3
[M+H-H2O]+	533.101160	186.7
[M+HCOO]-	595.102101	221.4
[M+CH3COO]-	609.117751	244.1
[M+Na-2H]-	571.078566	199.1
[M]+	550.10335142	199.7
[M]-	550.10444858	199.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.