12:2 fluorotelomer sulfate (C14H5F25O4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14H5F25O4S/c15-3(16,1-2-43-44(40,41)42)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1-2H2,(H,40,41,42)

InChIKey

HJDYDSUVNPUFQJ-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl hydrogen sulfate

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]+	744.958176	201.5
[M+Na]+	766.940118	202.3
[M-H]-	742.943624	212.4
[M+NH4]+	761.984723	213.3
[M+K]+	782.914058	217.0
[M+H-H2O]+	726.948160	186.9
[M+HCOO]-	788.949101	218.5
[M+CH3COO]-	802.964751	261.9
[M+Na-2H]-	764.925566	201.1
[M]+	743.95035142	202.4
[M]-	743.95144858	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

744.958176

201.5

[M+Na]+

766.940118

202.3

[M-H]-

742.943624

212.4

[M+NH4]+

761.984723

213.3

[M+K]+

782.914058

217.0

[M+H-H2O]+

726.948160

186.9

[M+HCOO]-

788.949101

218.5

[M+CH3COO]-

802.964751

261.9

[M+Na-2H]-

764.925566

201.1

[M]+

743.95035142

202.4

[M]-

743.95144858

202.4

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

12:2 fluorotelomer sulfate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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