Dtxsid001343190 (C24H12BF39O3)

Structural Information

Molecular Formula

SMILES

B(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C24H12BF39O3/c26-7(27,10(32,33)13(38,39)16(44,45)19(50,51)22(56,57)58)1-4-65-25(66-5-2-8(28,29)11(34,35)14(40,41)17(46,47)20(52,53)23(59,60)61)67-6-3-9(30,31)12(36,37)15(42,43)18(48,49)21(54,55)24(62,63)64/h1-6H2

InChIKey

OLNZYRAJMGESGX-UHFFFAOYSA-N

Compound name

tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 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]+	1101.032876	256.3
[M+Na]+	1123.014818	256.9
[M-H]-	1099.018324	268.6
[M+NH4]+	1118.059423	268.2
[M+K]+	1138.988758	272.8
[M+H-H2O]+	1083.022860	244.8
[M+HCOO]-	1145.023801	266.7
[M+CH3COO]-	1159.039451	282.0
[M+Na-2H]-	1121.000266	258.6
[M]+	1100.02505142	250.8
[M]-	1100.02614858	250.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1101.032876

256.3

[M+Na]+

1123.014818

256.9

[M-H]-

1099.018324

268.6

[M+NH4]+

1118.059423

268.2

[M+K]+

1138.988758

272.8

[M+H-H2O]+

1083.022860

244.8

[M+HCOO]-

1145.023801

266.7

[M+CH3COO]-

1159.039451

282.0

[M+Na-2H]-

1121.000266

258.6

[M]+

1100.02505142

250.8

[M]-

1100.02614858

250.8

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

Dtxsid001343190

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe