2-chloro-4,6-bis[3-(perfluorohexyl)propyloxy]-1,3,5-triazine (C21H12ClF26N3O2)

Structural Information

Molecular Formula

SMILES

C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC1=NC(=NC(=N1)Cl)OCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C21H12ClF26N3O2/c22-7-49-8(52-5-1-3-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(43,44)45)51-9(50-7)53-6-2-4-11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)21(46,47)48/h1-6H2

InChIKey

CBCNBGCPSUHKHN-UHFFFAOYSA-N

Compound name

2-chloro-4,6-bis(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxy)-1,3,5-triazine

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]+	868.02754	210.6
[M+Na]+	890.00948	216.8
[M-H]-	866.01298	221.6
[M+NH4]+	885.05408	224.5
[M+K]+	905.98342	228.9
[M+H-H2O]+	850.01752	199.8
[M+HCOO]-	912.01846	230.9
[M+CH3COO]-	926.03411	279.8
[M+Na-2H]-	887.99493	211.4
[M]+	867.01971	211.3
[M]-	867.02081	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

868.02754

210.6

[M+Na]+

890.00948

216.8

[M-H]-

866.01298

221.6

[M+NH4]+

885.05408

224.5

[M+K]+

905.98342

228.9

[M+H-H2O]+

850.01752

199.8

[M+HCOO]-

912.01846

230.9

[M+CH3COO]-

926.03411

279.8

[M+Na-2H]-

887.99493

211.4

[M]+

867.01971

211.3

[M]-

867.02081

211.3

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

2-chloro-4,6-bis[3-(perfluorohexyl)propyloxy]-1,3,5-triazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe