Hpfldca n=12 (C15H3F25O4)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)(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

InChI

InChI=1S/C15H3F25O4/c16-1(2(41)42)4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(37,38)15(39,40)13(35,36)11(31,32)9(27,28)7(23,24)5(19,20)3(43)44/h1H,(H,41,42)(H,43,44)

InChIKey

TZCNLEFTWVBTTI-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-pentacosafluoropentadecanedioic 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]+	722.970476	202.8
[M+Na]+	744.952418	205.3
[M-H]-	720.955924	217.3
[M+NH4]+	739.997023	216.1
[M+K]+	760.926358	219.8
[M+H-H2O]+	704.960460	189.3
[M+HCOO]-	766.961401	214.0
[M+CH3COO]-	780.977051	261.6
[M+Na-2H]-	742.937866	202.9
[M]+	721.96265142	200.2
[M]-	721.96374858	200.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

722.970476

202.8

[M+Na]+

744.952418

205.3

[M-H]-

720.955924

217.3

[M+NH4]+

739.997023

216.1

[M+K]+

760.926358

219.8

[M+H-H2O]+

704.960460

189.3

[M+HCOO]-

766.961401

214.0

[M+CH3COO]-

780.977051

261.6

[M+Na-2H]-

742.937866

202.9

[M]+

721.96265142

200.2

[M]-

721.96374858

200.2

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

Hpfldca n=12

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe