PubChemLite - Perfluorohexadecane (C16F34)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C16F34/c17-1(18,3(21,22)5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)47)2(19,20)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(48,49)50

InChIKey

AQPUCGPFMVEJGS-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tetratriacontafluorohexadecane

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]+	838.95298	215.1
[M+Na]+	860.93492	217.3
[M-H]-	836.93842	226.8
[M+NH4]+	855.97952	226.5
[M+K]+	876.90886	232.6
[M+H-H2O]+	820.94296	202.6
[M+HCOO]-	882.94390	230.3
[M+CH3COO]-	896.95955	270.5
[M+Na-2H]-	858.92037	219.2
[M]+	837.94515	211.1
[M]-	837.94625	211.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

838.95298

215.1

[M+Na]+

860.93492

217.3

[M-H]-

836.93842

226.8

[M+NH4]+

855.97952

226.5

[M+K]+

876.90886

232.6

[M+H-H2O]+

820.94296

202.6

[M+HCOO]-

882.94390

230.3

[M+CH3COO]-

896.95955

270.5

[M+Na-2H]-

858.92037

219.2

[M]+

837.94515

211.1

[M]-

837.94625

211.1

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

Perfluorohexadecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe