2-hydrido-perfluoropentadecanoic acid (C15H2F28O2)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)(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

InChI

InChI=1S/C15H2F28O2/c16-1(2(44)45)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)43/h1H,(H,44,45)

InChIKey

JWXQUWZCZDZDFW-UHFFFAOYSA-N

Compound name

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadecanoic 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]+	746.968026	205.4
[M+Na]+	768.949968	208.3
[M-H]-	744.953474	218.4
[M+NH4]+	763.994573	218.2
[M+K]+	784.923908	223.2
[M+H-H2O]+	728.958010	192.4
[M+HCOO]-	790.958951	218.8
[M+CH3COO]-	804.974601	264.8
[M+Na-2H]-	766.935416	207.1
[M]+	745.96020142	202.3
[M]-	745.96129858	202.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

746.968026

205.4

[M+Na]+

768.949968

208.3

[M-H]-

744.953474

218.4

[M+NH4]+

763.994573

218.2

[M+K]+

784.923908

223.2

[M+H-H2O]+

728.958010

192.4

[M+HCOO]-

790.958951

218.8

[M+CH3COO]-

804.974601

264.8

[M+Na-2H]-

766.935416

207.1

[M]+

745.96020142

202.3

[M]-

745.96129858

202.3

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

2-hydrido-perfluoropentadecanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe