PubChemLite - Tris(1h,1h,9h-perfluorononyl)borate (C27H9BF48O3)

Structural Information

Molecular Formula

SMILES

B(OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C27H9BF48O3/c29-4(30)10(41,42)16(53,54)22(65,66)25(71,72)19(59,60)13(47,48)7(35,36)1-77-28(78-2-8(37,38)14(49,50)20(61,62)26(73,74)23(67,68)17(55,56)11(43,44)5(31)32)79-3-9(39,40)15(51,52)21(63,64)27(75,76)24(69,70)18(57,58)12(45,46)6(33)34/h4-6H,1-3H2

InChIKey

NPGAFGTUBPUCCI-UHFFFAOYSA-N

Compound name

tris(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) borate

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]+	1304.9951	297.4
[M+Na]+	1326.9770	297.9
[M-H]-	1302.9805	309.8
[M+NH4]+	1322.0216	307.3
[M+K]+	1342.9510	310.7
[M+H-H2O]+	1286.9851	289.1
[M+HCOO]-	1348.9860	302.7
[M+CH3COO]-	1363.0017	278.1
[M+Na-2H]-	1324.9625	299.6
[M]+	1303.9873	286.8
[M]-	1303.9883	286.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1304.9951

297.4

[M+Na]+

1326.9770

297.9

[M-H]-

1302.9805

309.8

[M+NH4]+

1322.0216

307.3

[M+K]+

1342.9510

310.7

[M+H-H2O]+

1286.9851

289.1

[M+HCOO]-

1348.9860

302.7

[M+CH3COO]-

1363.0017

278.1

[M+Na-2H]-

1324.9625

299.6

[M]+

1303.9873

286.8

[M]-

1303.9883

286.8

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

Tris(1h,1h,9h-perfluorononyl)borate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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