PubChemLite - 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-[(4-sulfamoylphenyl)methyl]nonanamide (C16H9F17N2O3S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1CNC(=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)S(=O)(=O)N

InChI

InChI=1S/C16H9F17N2O3S/c17-9(18,8(36)35-5-6-1-3-7(4-2-6)39(34,37)38)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-4H,5H2,(H,35,36)(H2,34,37,38)

InChIKey

JHVJTHXQPPKMEA-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[(4-sulfamoylphenyl)methyl]nonanamide

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]+	633.01348	178.5
[M+Na]+	654.99542	185.7
[M-H]-	630.99892	189.8
[M+NH4]+	650.04002	188.5
[M+K]+	670.96936	192.1
[M+H-H2O]+	615.00346	166.4
[M+HCOO]-	677.00440	197.6
[M+CH3COO]-	691.02005	256.4
[M+Na-2H]-	652.98087	177.0
[M]+	632.00565	175.4
[M]-	632.00675	175.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

633.01348

178.5

[M+Na]+

654.99542

185.7

[M-H]-

630.99892

189.8

[M+NH4]+

650.04002

188.5

[M+K]+

670.96936

192.1

[M+H-H2O]+

615.00346

166.4

[M+HCOO]-

677.00440

197.6

[M+CH3COO]-

691.02005

256.4

[M+Na-2H]-

652.98087

177.0

[M]+

632.00565

175.4

[M]-

632.00675

175.4

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

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-n-[(4-sulfamoylphenyl)methyl]nonanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe