PubChemLite - Einecs 303-264-8 (C19H19F23N2O)

Structural Information

Molecular Formula

SMILES

CN(C)CCCNC(CCC(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C19H19F23N2O/c1-44(2)7-3-6-43-8(45)4-5-9(20,21)11(23,24)13(27,28)15(31,32)17(35,36)16(33,34)14(29,30)12(25,26)10(22,18(37,38)39)19(40,41)42/h8,43,45H,3-7H2,1-2H3

InChIKey

IBEWQQXACSADKT-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propylamino]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-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]+	729.12032	209.9
[M+Na]+	751.10226	214.9
[M-H]-	727.10576	222.8
[M+NH4]+	746.14686	221.6
[M+K]+	767.07620	228.6
[M+H-H2O]+	711.11030	196.0
[M+HCOO]-	773.11124	221.0
[M+CH3COO]-	787.12689	273.4
[M+Na-2H]-	749.08771	208.5
[M]+	728.11249	204.6
[M]-	728.11359	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

729.12032

209.9

[M+Na]+

751.10226

214.9

[M-H]-

727.10576

222.8

[M+NH4]+

746.14686

221.6

[M+K]+

767.07620

228.6

[M+H-H2O]+

711.11030

196.0

[M+HCOO]-

773.11124

221.0

[M+CH3COO]-

787.12689

273.4

[M+Na-2H]-

749.08771

208.5

[M]+

728.11249

204.6

[M]-

728.11359

204.6

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

Einecs 303-264-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe