PubChemLite - Einecs 303-261-1 (C18H19F21N2O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNCC(CC(C(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)(F)F)(F)F)O

InChI

InChI=1S/C18H19F21N2O/c1-41(2)5-3-4-40-7-8(42)6-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h8,40,42H,3-7H2,1-2H3

InChIKey

FYKFVLMDMBLILP-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecan-2-ol

Related CIDs

2D Structure

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]+	679.12348	203.6
[M+Na]+	701.10542	209.2
[M-H]-	677.10892	215.6
[M+NH4]+	696.15002	214.6
[M+K]+	717.07936	221.6
[M+H-H2O]+	661.11346	190.2
[M+HCOO]-	723.11440	214.8
[M+CH3COO]-	737.13005	269.0
[M+Na-2H]-	699.09087	201.6
[M]+	678.11565	198.1
[M]-	678.11675	198.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.12348

203.6

[M+Na]+

701.10542

209.2

[M-H]-

677.10892

215.6

[M+NH4]+

696.15002

214.6

[M+K]+

717.07936

221.6

[M+H-H2O]+

661.11346

190.2

[M+HCOO]-

723.11440

214.8

[M+CH3COO]-

737.13005

269.0

[M+Na-2H]-

699.09087

201.6

[M]+

678.11565

198.1

[M]-

678.11675

198.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Einecs 303-261-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe