PubChemLite - 1036029-24-9 (C20H24F17N2O2P)

Structural Information

Molecular Formula

SMILES

CC(C)N(C(C)C)P(OCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC#N

InChI

InChI=1S/C20H24F17N2O2P/c1-11(2)39(12(3)4)42(41-10-6-8-38)40-9-5-7-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h11-12H,5-7,9-10H2,1-4H3

InChIKey

YJOBDVVNYPAREN-UHFFFAOYSA-N

Compound name

3-[[di(propan-2-yl)amino]-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecoxy)phosphanyl]oxypropanenitrile

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]+	679.13768	237.5
[M+Na]+	701.11962	244.4
[M-H]-	677.12312	248.2
[M+NH4]+	696.16422	252.2
[M+K]+	717.09356	253.7
[M+H-H2O]+	661.12766	224.1
[M+HCOO]-	723.12860	245.7
[M+CH3COO]-	737.14425	275.0
[M+Na-2H]-	699.10507	232.5
[M]+	678.12985	232.6
[M]-	678.13095	232.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

679.13768

237.5

[M+Na]+

701.11962

244.4

[M-H]-

677.12312

248.2

[M+NH4]+

696.16422

252.2

[M+K]+

717.09356

253.7

[M+H-H2O]+

661.12766

224.1

[M+HCOO]-

723.12860

245.7

[M+CH3COO]-

737.14425

275.0

[M+Na-2H]-

699.10507

232.5

[M]+

678.12985

232.6

[M]-

678.13095

232.6

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

1036029-24-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe