PubChemLite - Perfluorononanesulfonic acid (C9HF19O3S)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)

InChIKey

MNEXVZFQQPKDHC-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic 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]+	550.94158	169.9
[M+Na]+	572.92352	172.7
[M-H]-	548.92702	178.1
[M+NH4]+	567.96812	179.6
[M+K]+	588.89746	183.0
[M+H-H2O]+	532.93156	157.0
[M+HCOO]-	594.93250	189.9
[M+CH3COO]-	608.94815	238.4
[M+Na-2H]-	570.90897	169.3
[M]+	549.93375	171.2
[M]-	549.93485	171.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

550.94158

169.9

[M+Na]+

572.92352

172.7

[M-H]-

548.92702

178.1

[M+NH4]+

567.96812

179.6

[M+K]+

588.89746

183.0

[M+H-H2O]+

532.93156

157.0

[M+HCOO]-

594.93250

189.9

[M+CH3COO]-

608.94815

238.4

[M+Na-2H]-

570.90897

169.3

[M]+

549.93375

171.2

[M]-

549.93485

171.2

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

Perfluorononanesulfonic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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