PubChemLite - Dtxsid00896728 (C20H3F25NP)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NP(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

InChI

InChI=1S/C20H3F25NP/c21-2-4(23)8(27)12(9(28)5(2)24)47(13-10(29)6(25)3(22)7(26)11(13)30)46-1-14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h46H,1H2

InChIKey

RPEOQCBWVUKKRF-UHFFFAOYSA-N

Compound name

N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-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]+	763.96768	212.9
[M+Na]+	785.94962	219.9
[M-H]-	761.95312	219.6
[M+NH4]+	780.99422	221.8
[M+K]+	801.92356	227.3
[M+H-H2O]+	745.95766	200.2
[M+HCOO]-	807.95860	232.9
[M+CH3COO]-	821.97425	281.3
[M+Na-2H]-	783.93507	209.5
[M]+	762.95985	200.5
[M]-	762.96095	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

763.96768

212.9

[M+Na]+

785.94962

219.9

[M-H]-

761.95312

219.6

[M+NH4]+

780.99422

221.8

[M+K]+

801.92356

227.3

[M+H-H2O]+

745.95766

200.2

[M+HCOO]-

807.95860

232.9

[M+CH3COO]-

821.97425

281.3

[M+Na-2H]-

783.93507

209.5

[M]+

762.95985

200.5

[M]-

762.96095

200.5

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

Dtxsid00896728

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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