PubChemLite - 4,6-bis[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxy]-1,3,5-triazin-2-amine (C17H6F26N4O2)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC1=NC(=NC(=N1)N)OCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C17H6F26N4O2/c18-6(19,8(22,23)10(26,27)12(30,31)14(34,35)16(38,39)40)1-48-4-45-3(44)46-5(47-4)49-2-7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)17(41,42)43/h1-2H2,(H2,44,45,46,47)

InChIKey

XZNQZBAZHBPEEQ-UHFFFAOYSA-N

Compound name

4,6-bis(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazin-2-amine

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]+	793.01485	194.2
[M+Na]+	814.99679	201.2
[M-H]-	791.00029	206.9
[M+NH4]+	810.04139	206.6
[M+K]+	830.97073	211.2
[M+H-H2O]+	775.00483	182.4
[M+HCOO]-	837.00577	214.0
[M+CH3COO]-	851.02142	273.7
[M+Na-2H]-	812.98224	196.1
[M]+	792.00702	191.1
[M]-	792.00812	191.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

793.01485

194.2

[M+Na]+

814.99679

201.2

[M-H]-

791.00029

206.9

[M+NH4]+

810.04139

206.6

[M+K]+

830.97073

211.2

[M+H-H2O]+

775.00483

182.4

[M+HCOO]-

837.00577

214.0

[M+CH3COO]-

851.02142

273.7

[M+Na-2H]-

812.98224

196.1

[M]+

792.00702

191.1

[M]-

792.00812

191.1

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

4,6-bis[(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxy]-1,3,5-triazin-2-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe