Einecs 268-203-9 (C15F30O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15F30O/c16-1(46)2(17,18)4(20,21)6(24,25)8(28,29)10(32,33)12(36,37)13(38,39)11(34,35)9(30,31)7(26,27)5(22,23)3(19,14(40,41)42)15(43,44)45

InChIKey

ULTHBMBLJPAOJW-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-hexacosafluoro-13-(trifluoromethyl)tetradecanoyl fluoride

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]+	766.954276	207.1
[M+Na]+	788.936218	210.2
[M-H]-	764.939724	219.6
[M+NH4]+	783.980823	219.9
[M+K]+	804.910158	225.2
[M+H-H2O]+	748.944260	194.4
[M+HCOO]-	810.945201	222.6
[M+CH3COO]-	824.960851	266.7
[M+Na-2H]-	786.921666	210.0
[M]+	765.94645142	204.2
[M]-	765.94754858	204.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

766.954276

207.1

[M+Na]+

788.936218

210.2

[M-H]-

764.939724

219.6

[M+NH4]+

783.980823

219.9

[M+K]+

804.910158

225.2

[M+H-H2O]+

748.944260

194.4

[M+HCOO]-

810.945201

222.6

[M+CH3COO]-

824.960851

266.7

[M+Na-2H]-

786.921666

210.0

[M]+

765.94645142

204.2

[M]-

765.94754858

204.2

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

Einecs 268-203-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe