CID 85642956

Naphthalen-2-yl sulfofluoridate

Structural Information

Molecular Formula

C₁₀H₇FO₃S

SMILES

C1=CC=C2C=C(C=CC2=C1)OS(=O)(=O)F

InChI

InChI=1S/C10H7FO3S/c11-15(12,13)14-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChIKey

IJQQGAGYVGLLJL-UHFFFAOYSA-N

Compound name

2-fluorosulfonyloxynaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 226.01 Da
Monoisotopic Mass: 3.6
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]+	227.01728	141.8
[M+Na]+	248.99922	152.1
[M-H]-	225.00272	145.7
[M+NH4]+	244.04382	161.6
[M+K]+	264.97316	148.7
[M+H-H2O]+	209.00726	135.4
[M+HCOO]-	271.00820	159.2
[M+CH3COO]-	285.02385	184.3
[M+Na-2H]-	246.98467	149.3
[M]+	226.00945	144.9
[M]-	226.01055	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe