PubChemLite - Perfluorononanoic acid (C9HF17O2)

Structural Information

Molecular Formula

C₉HF₁₇O₂

SMILES

C(=O)(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)O

InChI

InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)

InChIKey

UZUFPBIDKMEQEQ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic 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]+	464.97780	162.5
[M+Na]+	486.95974	162.6
[M+NH4]+	482.00434	162.3
[M+K]+	502.93368	162.8
[M-H]-	462.96324	161.0
[M+Na-2H]-	484.94519	162.7
[M]+	463.96997	162.0
[M]-	463.97107	162.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.97780

162.5

[M+Na]+

486.95974

162.6

[M+NH4]+

482.00434

162.3

[M+K]+

502.93368

162.8

[M-H]-

462.96324

161.0

[M+Na-2H]-

484.94519

162.7

[M]+

463.96997

162.0

[M]-

463.97107

162.0

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

Perfluorononanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe