Ns00104112 (C15H2F28)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15H2F28/c1-2(16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)43/h1H2

InChIKey

ORRADWOAITXXMO-UHFFFAOYSA-N

Compound name

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

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]+	714.978226	201.8
[M+Na]+	736.960168	205.6
[M-H]-	712.963674	213.2
[M+NH4]+	732.004773	214.1
[M+K]+	752.934108	220.3
[M+H-H2O]+	696.968210	189.1
[M+HCOO]-	758.969151	217.9
[M+CH3COO]-	772.984801	263.9
[M+Na-2H]-	734.945616	204.2
[M]+	713.97040142	199.1
[M]-	713.97149858	199.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

714.978226

201.8

[M+Na]+

736.960168

205.6

[M-H]-

712.963674

213.2

[M+NH4]+

732.004773

214.1

[M+K]+

752.934108

220.3

[M+H-H2O]+

696.968210

189.1

[M+HCOO]-

758.969151

217.9

[M+CH3COO]-

772.984801

263.9

[M+Na-2H]-

734.945616

204.2

[M]+

713.97040142

199.1

[M]-

713.97149858

199.1

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

Ns00104112

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe