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	197.3
[M+Na]+	736.94372	200.1
[M-H]-	712.94722	209.8
[M+NH4]+	731.98832	209.4
[M+K]+	752.91766	214.6
[M+H-H2O]+	696.95176	183.8
[M+HCOO]-	758.95270	212.9
[M+CH3COO]-	772.96835	261.5
[M+Na-2H]-	734.92917	199.1
[M]+	713.95395	195.0
[M]-	713.95505	195.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

714.96178

197.3

[M+Na]+

736.94372

200.1

[M-H]-

712.94722

209.8

[M+NH4]+

731.98832

209.4

[M+K]+

752.91766

214.6

[M+H-H2O]+

696.95176

183.8

[M+HCOO]-

758.95270

212.9

[M+CH3COO]-

772.96835

261.5

[M+Na-2H]-

734.92917

199.1

[M]+

713.95395

195.0

[M]-

713.95505

195.0

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

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