Hentriacontafluoropentadecyl iodide (C15F31I)

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

InChI

InChI=1S/C15F31I/c16-1(17,2(18,19)4(22,23)6(26,27)8(30,31)10(34,35)12(38,39)14(42,43)44)3(20,21)5(24,25)7(28,29)9(32,33)11(36,37)13(40,41)15(45,46)47

InChIKey

SVOCBPYVHOTFRV-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-hentriacontafluoro-15-iodopentadecane

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]+	896.862276	234.8
[M+Na]+	918.844218	237.3
[M-H]-	894.847724	245.6
[M+NH4]+	913.888823	246.0
[M+K]+	934.818158	251.9
[M+H-H2O]+	878.852260	222.0
[M+HCOO]-	940.853201	249.7
[M+CH3COO]-	954.868851	269.9
[M+Na-2H]-	916.829666	236.2
[M]+	895.85445142	231.0
[M]-	895.85554858	231.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

896.862276

234.8

[M+Na]+

918.844218

237.3

[M-H]-

894.847724

245.6

[M+NH4]+

913.888823

246.0

[M+K]+

934.818158

251.9

[M+H-H2O]+

878.852260

222.0

[M+HCOO]-

940.853201

249.7

[M+CH3COO]-

954.868851

269.9

[M+Na-2H]-

916.829666

236.2

[M]+

895.85445142

231.0

[M]-

895.85554858

231.0

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

Hentriacontafluoropentadecyl iodide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe