PubChemLite - Bis(1h,1h-perfluorooct-1-yl)amine (C16H5F30N)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C16H5F30N/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-47-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h47H,1-2H2

InChIKey

FTLIVFJKISSELN-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)octan-1-amine

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]+	782.00158	204.7
[M+Na]+	803.98352	207.9
[M-H]-	779.98702	216.5
[M+NH4]+	799.02812	215.6
[M+K]+	819.95746	222.7
[M+H-H2O]+	763.99156	191.1
[M+HCOO]-	825.99250	220.2
[M+CH3COO]-	840.00815	270.5
[M+Na-2H]-	801.96897	207.4
[M]+	780.99375	200.3
[M]-	780.99485	200.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

782.00158

204.7

[M+Na]+

803.98352

207.9

[M-H]-

779.98702

216.5

[M+NH4]+

799.02812

215.6

[M+K]+

819.95746

222.7

[M+H-H2O]+

763.99156

191.1

[M+HCOO]-

825.99250

220.2

[M+CH3COO]-

840.00815

270.5

[M+Na-2H]-

801.96897

207.4

[M]+

780.99375

200.3

[M]-

780.99485

200.3

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

Bis(1h,1h-perfluorooct-1-yl)amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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