78974-41-1 (C22H9F38O4P)

Structural Information

Molecular Formula

SMILES

C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C22H9F38O4P/c23-5(24,9(29,30)13(37,38)17(45,46)15(41,42)11(33,34)7(27,19(49,50)51)20(52,53)54)1-3-63-65(61,62)64-4-2-6(25,26)10(31,32)14(39,40)18(47,48)16(43,44)12(35,36)8(28,21(55,56)57)22(58,59)60/h1-4H2,(H,61,62)

InChIKey

HWYXDLNPCZITLD-UHFFFAOYSA-N

Compound name

bis[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decyl] hydrogen phosphate

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]+	1090.970376	265.1
[M+Na]+	1112.952318	264.8
[M-H]-	1088.955824	278.4
[M+NH4]+	1107.996923	276.5
[M+K]+	1128.926258	279.9
[M+H-H2O]+	1072.960360	249.7
[M+HCOO]-	1134.961301	276.5
[M+CH3COO]-	1148.976951	279.7
[M+Na-2H]-	1110.937766	265.4
[M]+	1089.96255142	260.2
[M]-	1089.96364858	260.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1090.970376

265.1

[M+Na]+

1112.952318

264.8

[M-H]-

1088.955824

278.4

[M+NH4]+

1107.996923

276.5

[M+K]+

1128.926258

279.9

[M+H-H2O]+

1072.960360

249.7

[M+HCOO]-

1134.961301

276.5

[M+CH3COO]-

1148.976951

279.7

[M+Na-2H]-

1110.937766

265.4

[M]+

1089.96255142

260.2

[M]-

1089.96364858

260.2

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

78974-41-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe