PubChemLite - Einecs 293-843-0 (C20H7F31O2)

Structural Information

Molecular Formula

SMILES

C=CC(=O)OCCC(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)F

InChI

InChI=1S/C20H7F31O2/c1-2-5(52)53-4-3-6(21,22)8(24,25)10(28,29)12(32,33)14(36,37)16(40,41)18(44,45)17(42,43)15(38,39)13(34,35)11(30,31)9(26,27)7(23,19(46,47)48)20(49,50)51/h2H,1,3-4H2

InChIKey

VCEPSAITQNAZCU-UHFFFAOYSA-N

Compound name

[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,16-octacosafluoro-15-(trifluoromethyl)hexadecyl] prop-2-enoate

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]+	869.00238	226.8
[M+Na]+	890.98432	229.2
[M-H]-	866.98782	240.1
[M+NH4]+	886.02892	240.3
[M+K]+	906.95826	245.3
[M+H-H2O]+	850.99236	213.6
[M+HCOO]-	912.99330	241.2
[M+CH3COO]-	927.00895	274.6
[M+Na-2H]-	888.96977	228.5
[M]+	867.99455	224.3
[M]-	867.99565	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

869.00238

226.8

[M+Na]+

890.98432

229.2

[M-H]-

866.98782

240.1

[M+NH4]+

886.02892

240.3

[M+K]+

906.95826

245.3

[M+H-H2O]+

850.99236

213.6

[M+HCOO]-

912.99330

241.2

[M+CH3COO]-

927.00895

274.6

[M+Na-2H]-

888.96977

228.5

[M]+

867.99455

224.3

[M]-

867.99565

224.3

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

Einecs 293-843-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe