Pfldca n=15 (C17H2F30O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C17H2F30O4/c18-3(19,1(48)49)5(22,23)7(26,27)9(30,31)11(34,35)13(38,39)15(42,43)17(46,47)16(44,45)14(40,41)12(36,37)10(32,33)8(28,29)6(24,25)4(20,21)2(50)51/h(H,48,49)(H,50,51)

InChIKey

FJWJTJGGZWHGJG-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-triacontafluoroheptadecanedioic 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]+	840.954676	220.2
[M+Na]+	862.936618	221.4
[M-H]-	838.940124	235.3
[M+NH4]+	857.981223	233.1
[M+K]+	878.910558	237.4
[M+H-H2O]+	822.944660	205.9
[M+HCOO]-	884.945601	232.0
[M+CH3COO]-	898.961251	269.9
[M+Na-2H]-	860.922066	221.5
[M]+	839.94685142	217.8
[M]-	839.94794858	217.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

840.954676

220.2

[M+Na]+

862.936618

221.4

[M-H]-

838.940124

235.3

[M+NH4]+

857.981223

233.1

[M+K]+

878.910558

237.4

[M+H-H2O]+

822.944660

205.9

[M+HCOO]-

884.945601

232.0

[M+CH3COO]-

898.961251

269.9

[M+Na-2H]-

860.922066

221.5

[M]+

839.94685142

217.8

[M]-

839.94794858

217.8

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

Pfldca n=15

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe