Perfluorodecanoic anhydride (C20F38O3)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C20F38O3/c21-3(22,5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)55)1(59)61-2(60)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(56,57)58

InChIKey

ZMOVGRSTRJMBKT-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

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]+	1010.931376	248.8
[M+Na]+	1032.913318	250.4
[M-H]-	1008.916824	263.3
[M+NH4]+	1027.957923	261.8
[M+K]+	1048.887258	265.6
[M+H-H2O]+	992.921360	237.4
[M+HCOO]-	1054.922301	259.7
[M+CH3COO]-	1068.937951	276.0
[M+Na-2H]-	1030.898766	252.2
[M]+	1009.92355142	243.6
[M]-	1009.92464858	243.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1010.931376

248.8

[M+Na]+

1032.913318

250.4

[M-H]-

1008.916824

263.3

[M+NH4]+

1027.957923

261.8

[M+K]+

1048.887258

265.6

[M+H-H2O]+

992.921360

237.4

[M+HCOO]-

1054.922301

259.7

[M+CH3COO]-

1068.937951

276.0

[M+Na-2H]-

1030.898766

252.2

[M]+

1009.92355142

243.6

[M]-

1009.92464858

243.6

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

Perfluorodecanoic anhydride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe