PubChemLite - Nonacosafluoro-1-iodotetradecane (C14F29I)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14F29I/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44

InChIKey

MHIPPKXKESHCIO-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-nonacosafluoro-14-iodotetradecane

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]+	846.86543	228.6
[M+Na]+	868.84737	231.5
[M-H]-	844.85087	239.0
[M+NH4]+	863.89197	239.8
[M+K]+	884.82131	245.7
[M+H-H2O]+	828.85541	215.7
[M+HCOO]-	890.85635	244.2
[M+CH3COO]-	904.87200	267.0
[M+Na-2H]-	866.83282	229.4
[M]+	845.85760	225.1
[M]-	845.85870	225.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

846.86543

228.6

[M+Na]+

868.84737

231.5

[M-H]-

844.85087

239.0

[M+NH4]+

863.89197

239.8

[M+K]+

884.82131

245.7

[M+H-H2O]+

828.85541

215.7

[M+HCOO]-

890.85635

244.2

[M+CH3COO]-

904.87200

267.0

[M+Na-2H]-

866.83282

229.4

[M]+

845.85760

225.1

[M]-

845.85870

225.1

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

Nonacosafluoro-1-iodotetradecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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