470-73-5 (C24H12F42N3O6P3)

Structural Information

Molecular Formula

SMILES

C(C(C(C(F)(F)F)(F)F)(F)F)OP1(=NP(=NP(=N1)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)(OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24H12F42N3O6P3/c25-7(26,13(37,38)19(49,50)51)1-70-76(71-2-8(27,28)14(39,40)20(52,53)54)67-77(72-3-9(29,30)15(41,42)21(55,56)57,73-4-10(31,32)16(43,44)22(58,59)60)69-78(68-76,74-5-11(33,34)17(45,46)23(61,62)63)75-6-12(35,36)18(47,48)24(64,65)66/h1-6H2

InChIKey

XXIRTCLWEVPOML-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6-hexakis(2,2,3,3,4,4,4-heptafluorobutoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene

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]+	1329.934176	315.4
[M+Na]+	1351.916118	316.2
[M-H]-	1327.919624	327.8
[M+NH4]+	1346.960723	327.3
[M+K]+	1367.890058	327.1
[M+H-H2O]+	1311.924160	298.8
[M+HCOO]-	1373.925101	325.1
[M+CH3COO]-	1387.940751	287.1
[M+Na-2H]-	1349.901566	311.4
[M]+	1328.92635142	309.7
[M]-	1328.92744858	309.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1329.934176

315.4

[M+Na]+

1351.916118

316.2

[M-H]-

1327.919624

327.8

[M+NH4]+

1346.960723

327.3

[M+K]+

1367.890058

327.1

[M+H-H2O]+

1311.924160

298.8

[M+HCOO]-

1373.925101

325.1

[M+CH3COO]-

1387.940751

287.1

[M+Na-2H]-

1349.901566

311.4

[M]+

1328.92635142

309.7

[M]-

1328.92744858

309.7

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

470-73-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe