PubChemLite - 186406-47-3 (C24H18F36N3O6P3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H18F36N3O6P3/c25-7(26)19(49,50)13(37,38)1-64-70(65-2-14(39,40)20(51,52)8(27)28)61-71(66-3-15(41,42)21(53,54)9(29)30,67-4-16(43,44)22(55,56)10(31)32)63-72(62-70,68-5-17(45,46)23(57,58)11(33)34)69-6-18(47,48)24(59,60)12(35)36/h7-12H,1-6H2

InChIKey

OCYVNAZWWWLIMH-UHFFFAOYSA-N

Compound name

2,2,4,4,6,6-hexakis(2,2,3,3,4,4-hexafluorobutoxy)-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]+	1221.9907	322.0
[M+Na]+	1243.9726	324.7
[M-H]-	1219.9761	335.2
[M+NH4]+	1239.0172	338.8
[M+K]+	1259.9466	336.1
[M+H-H2O]+	1203.9807	304.1
[M+HCOO]-	1265.9816	325.7
[M+CH3COO]-	1279.9973	297.9
[M+Na-2H]-	1241.9581	314.0
[M]+	1220.9829	316.2
[M]-	1220.9839	316.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1221.9907

322.0

[M+Na]+

1243.9726

324.7

[M-H]-

1219.9761

335.2

[M+NH4]+

1239.0172

338.8

[M+K]+

1259.9466

336.1

[M+H-H2O]+

1203.9807

304.1

[M+HCOO]-

1265.9816

325.7

[M+CH3COO]-

1279.9973

297.9

[M+Na-2H]-

1241.9581

314.0

[M]+

1220.9829

316.2

[M]-

1220.9839

316.2

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

186406-47-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe