CID 109945

Nonadecafluorononanesulfonyl fluoride

Structural Information

Molecular Formula

C₉F₂₀O₂S

SMILES

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

InChI

InChI=1S/C9F20O2S/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

InChIKey

NBFKXQZHVNHRSB-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-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 15
Patents: 551.93 Da
Monoisotopic Mass: 6.7
XlogP (predicted)

Profile

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]+	552.937276	172.3
[M+Na]+	574.919218	176.2
[M-H]-	550.922724	180.0
[M+NH4]+	569.963823	183.0
[M+K]+	590.893158	186.6
[M+H-H2O]+	534.927260	160.3
[M+HCOO]-	596.928201	193.1
[M+CH3COO]-	610.943851	241.1
[M+Na-2H]-	572.904666	172.6
[M]+	551.92945142	173.6
[M]-	551.93054858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe