CID 5372247

9h-purine-6-sulfonyl fluoride

Structural Information

Molecular Formula

C₅H₃FN₄O₂S

SMILES

C1=NC2=C(N1)C(=NC=N2)S(=O)(=O)F

InChI

InChI=1S/C5H3FN4O2S/c6-13(11,12)5-3-4(8-1-7-3)9-2-10-5/h1-2H,(H,7,8,9,10)

InChIKey

FWHCGYKYNIYIHJ-UHFFFAOYSA-N

Compound name

7H-purine-6-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 201.99608 Da
Monoisotopic Mass: 0.4
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]+	203.00336	136.5
[M+Na]+	224.98530	150.1
[M-H]-	200.98880	134.8
[M+NH4]+	220.02990	153.4
[M+K]+	240.95924	145.9
[M+H-H2O]+	184.99334	129.4
[M+HCOO]-	246.99428	151.0
[M+CH3COO]-	261.00993	149.6
[M+Na-2H]-	222.97075	143.6
[M]+	201.99553	138.8
[M]-	201.99663	138.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.