PubChemLite - Dpas n=11 (C14HF27O)

Structural Information

Molecular Formula

SMILES

C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(C(C(C(O)(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/C14HF27O/c15-1(2(16)4(19,20)21)3(17,18)5(22,23)6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)42/h42H/b2-1+

InChIKey

DRDORMCNZLUQQO-OWOJBTEDSA-N

Compound name

(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,14,14-heptacosafluorotetradec-12-en-1-ol

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]+	698.96688	197.7
[M+Na]+	720.94882	201.3
[M-H]-	696.95232	209.5
[M+NH4]+	715.99342	209.5
[M+K]+	736.92276	215.4
[M+H-H2O]+	680.95686	185.1
[M+HCOO]-	742.95780	211.5
[M+CH3COO]-	756.97345	260.3
[M+Na-2H]-	718.93427	199.4
[M]+	697.95905	193.8
[M]-	697.96015	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

698.96688

197.7

[M+Na]+

720.94882

201.3

[M-H]-

696.95232

209.5

[M+NH4]+

715.99342

209.5

[M+K]+

736.92276

215.4

[M+H-H2O]+

680.95686

185.1

[M+HCOO]-

742.95780

211.5

[M+CH3COO]-

756.97345

260.3

[M+Na-2H]-

718.93427

199.4

[M]+

697.95905

193.8

[M]-

697.96015

193.8

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

Dpas n=11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe