PubChemLite - 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl methacrylate (C18H9F25O2)

Structural Information

Molecular Formula

SMILES

CC(=C)C(=O)OCCC(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

InChI

InChI=1S/C18H9F25O2/c1-5(2)6(44)45-4-3-7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)43/h1,3-4H2,2H3

InChIKey

LFEGLDRNIDJMKB-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl 2-methylprop-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]+	733.02758	210.9
[M+Na]+	755.00952	214.8
[M-H]-	731.01302	223.6
[M+NH4]+	750.05412	225.2
[M+K]+	770.98346	229.6
[M+H-H2O]+	715.01756	198.2
[M+HCOO]-	777.01850	225.5
[M+CH3COO]-	791.03415	266.8
[M+Na-2H]-	752.99497	211.0
[M]+	732.01975	209.3
[M]-	732.02085	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

733.02758

210.9

[M+Na]+

755.00952

214.8

[M-H]-

731.01302

223.6

[M+NH4]+

750.05412

225.2

[M+K]+

770.98346

229.6

[M+H-H2O]+

715.01756

198.2

[M+HCOO]-

777.01850

225.5

[M+CH3COO]-

791.03415

266.8

[M+Na-2H]-

752.99497

211.0

[M]+

732.01975

209.3

[M]-

732.02085

209.3

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

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl methacrylate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe