165325-62-2 (C24H12F39O4P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H12F39O4P/c25-7(26,10(31,32)13(37,38)16(43,44)19(49,50)22(55,56)57)1-4-65-68(64,66-5-2-8(27,28)11(33,34)14(39,40)17(45,46)20(51,52)23(58,59)60)67-6-3-9(29,30)12(35,36)15(41,42)18(47,48)21(53,54)24(61,62)63/h1-6H2

InChIKey

LCACBPBFZQHXSG-UHFFFAOYSA-N

Compound name

tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 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]+	1136.992276	271.8
[M+Na]+	1158.974218	271.7
[M-H]-	1134.977724	284.7
[M+NH4]+	1154.018823	283.7
[M+K]+	1174.948158	286.8
[M+H-H2O]+	1118.982260	257.2
[M+HCOO]-	1180.983201	283.1
[M+CH3COO]-	1194.998851	282.6
[M+Na-2H]-	1156.959666	272.0
[M]+	1135.98445142	266.7
[M]-	1135.98554858	266.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1136.992276

271.8

[M+Na]+

1158.974218

271.7

[M-H]-

1134.977724

284.7

[M+NH4]+

1154.018823

283.7

[M+K]+

1174.948158

286.8

[M+H-H2O]+

1118.982260

257.2

[M+HCOO]-

1180.983201

283.1

[M+CH3COO]-

1194.998851

282.6

[M+Na-2H]-

1156.959666

272.0

[M]+

1135.98445142

266.7

[M]-

1135.98554858

266.7

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

165325-62-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe