PubChemLite - Perfluorodecanoic acid (C10HF19O2)

Structural Information

Molecular Formula

C₁₀HF₁₉O₂

SMILES

C(=O)(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)O

InChI

InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)

InChIKey

PCIUEQPBYFRTEM-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic 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]+	514.97458	165.0
[M+Na]+	536.95652	170.0
[M-H]-	512.96002	174.1
[M+NH4]+	532.00112	174.9
[M+K]+	552.93046	179.2
[M+H-H2O]+	496.96456	153.7
[M+HCOO]-	558.96550	183.1
[M+CH3COO]-	572.98115	237.3
[M+Na-2H]-	534.94197	165.4
[M]+	513.96675	163.2
[M]-	513.96785	163.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.97458

165.0

[M+Na]+

536.95652

170.0

[M-H]-

512.96002

174.1

[M+NH4]+

532.00112

174.9

[M+K]+

552.93046

179.2

[M+H-H2O]+

496.96456

153.7

[M+HCOO]-

558.96550

183.1

[M+CH3COO]-

572.98115

237.3

[M+Na-2H]-

534.94197

165.4

[M]+

513.96675

163.2

[M]-

513.96785

163.2

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

Perfluorodecanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe