PubChemLite - 14:2-fteo2 (C20H13F29O3)

Structural Information

Molecular Formula

SMILES

C(COCCOCCO)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)F

InChI

InChI=1S/C20H13F29O3/c21-7(22,1-3-51-5-6-52-4-2-50)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)17(41,42)18(43,44)19(45,46)20(47,48)49/h50H,1-6H2

InChIKey

ANJOKTZXJDHQBF-UHFFFAOYSA-N

Compound name

2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethanol

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]+	853.04744	217.5
[M+Na]+	875.02938	218.3
[M-H]-	851.03288	228.4
[M+NH4]+	870.07398	229.0
[M+K]+	891.00332	234.7
[M+H-H2O]+	835.03742	203.2
[M+HCOO]-	897.03836	232.1
[M+CH3COO]-	911.05401	275.1
[M+Na-2H]-	873.01483	217.5
[M]+	852.03961	215.4
[M]-	852.04071	215.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

853.04744

217.5

[M+Na]+

875.02938

218.3

[M-H]-

851.03288

228.4

[M+NH4]+

870.07398

229.0

[M+K]+

891.00332

234.7

[M+H-H2O]+

835.03742

203.2

[M+HCOO]-

897.03836

232.1

[M+CH3COO]-

911.05401

275.1

[M+Na-2H]-

873.01483

217.5

[M]+

852.03961

215.4

[M]-

852.04071

215.4

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

14:2-fteo2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe