PubChemLite - Perfluorotetradecanoic acid (C14HF27O2)

Structural Information

Molecular Formula

SMILES

C(=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)O

InChI

InChI=1S/C14HF27O2/c15-2(16,1(42)43)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)41/h(H,42,43)

InChIKey

RUDINRUXCKIXAJ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic 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]+	714.96178	152.6
[M+Na]+	736.94372	152.6
[M+NH4]+	731.98832	152.6
[M+K]+	752.91766	152.6
[M-H]-	712.94722	152.6
[M+Na-2H]-	734.92917	152.6
[M]+	713.95395	152.6
[M]-	713.95505	152.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

714.96178

152.6

[M+Na]+

736.94372

152.6

[M+NH4]+

731.98832

152.6

[M+K]+

752.91766

152.6

[M-H]-

712.94722

152.6

[M+Na-2H]-

734.92917

152.6

[M]+

713.95395

152.6

[M]-

713.95505

152.6

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

Perfluorotetradecanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe