PubChemLite - Octatriacontafluorooctadecane (C18F38)

Structural Information

Molecular Formula

SMILES

C(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)(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/C18F38/c19-1(20,3(23,24)5(27,28)7(31,32)9(35,36)11(39,40)13(43,44)15(47,48)17(51,52)53)2(21,22)4(25,26)6(29,30)8(33,34)10(37,38)12(41,42)14(45,46)16(49,50)18(54,55)56

InChIKey

CKIFXJXKYOEESC-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-octatriacontafluorooctadecane

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]+	938.94661	231.2
[M+Na]+	960.92855	232.7
[M-H]-	936.93205	243.2
[M+NH4]+	955.97315	242.0
[M+K]+	976.90249	247.8
[M+H-H2O]+	920.93659	219.6
[M+HCOO]-	982.93753	244.5
[M+CH3COO]-	996.95318	273.5
[M+Na-2H]-	958.91400	235.8
[M]+	937.93878	225.6
[M]-	937.93988	225.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

938.94661

231.2

[M+Na]+

960.92855

232.7

[M-H]-

936.93205

243.2

[M+NH4]+

955.97315

242.0

[M+K]+

976.90249

247.8

[M+H-H2O]+

920.93659

219.6

[M+HCOO]-

982.93753

244.5

[M+CH3COO]-

996.95318

273.5

[M+Na-2H]-

958.91400

235.8

[M]+

937.93878

225.6

[M]-

937.93988

225.6

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

Octatriacontafluorooctadecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe