CID 11021701

541502-96-9

Structural Information

Molecular Formula

C₆H₂F₅NO₃S

SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)OS(=O)(=O)N

InChI

InChI=1S/C6H2F5NO3S/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h(H2,12,13,14)

InChIKey

RTFOKBBERJXJKR-UHFFFAOYSA-N

Compound name

(2,3,4,5,6-pentafluorophenyl) sulfamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 262.96756 Da
Monoisotopic Mass: 1.3
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]+	263.974836	140.5
[M+Na]+	285.956778	153.1
[M-H]-	261.960284	138.7
[M+NH4]+	281.001383	157.6
[M+K]+	301.930718	148.9
[M+H-H2O]+	245.964820	130.9
[M+HCOO]-	307.965761	154.8
[M+CH3COO]-	321.981411	195.2
[M+Na-2H]-	283.942226	140.9
[M]+	262.96701142	137.8
[M]-	262.96810858	137.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.