PubChemLite - Pfldca n=14 (C16H2F28O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C16H2F28O4/c17-3(18,1(45)46)5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)16(43,44)14(39,40)12(35,36)10(31,32)8(27,28)6(23,24)4(19,20)2(47)48/h(H,45,46)(H,47,48)

InChIKey

AHPNUZPODAGHJZ-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-octacosafluorohexadecanedioic acid

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]+	790.95788	211.6
[M+Na]+	812.93982	213.2
[M-H]-	788.94332	226.5
[M+NH4]+	807.98442	224.6
[M+K]+	828.91376	228.7
[M+H-H2O]+	772.94786	197.3
[M+HCOO]-	834.94880	224.1
[M+CH3COO]-	848.96445	266.6
[M+Na-2H]-	810.92527	212.6
[M]+	789.95005	209.6
[M]-	789.95115	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

790.95788

211.6

[M+Na]+

812.93982

213.2

[M-H]-

788.94332

226.5

[M+NH4]+

807.98442

224.6

[M+K]+

828.91376

228.7

[M+H-H2O]+

772.94786

197.3

[M+HCOO]-

834.94880

224.1

[M+CH3COO]-

848.96445

266.6

[M+Na-2H]-

810.92527

212.6

[M]+

789.95005

209.6

[M]-

789.95115

209.6

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

Pfldca n=14

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe