CID 118561813

1839620-94-8

Structural Information

Molecular Formula

C₁₂H₁₁FO₃S

SMILES

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

InChI

InChI=1S/C12H11FO3S/c13-17(14,15)8-7-16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2

InChIKey

NYCZZSJFHIGALP-UHFFFAOYSA-N

Compound name

2-naphthalen-2-yloxyethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 254.04129 Da
Monoisotopic Mass: 3.4
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]+	255.04857	151.0
[M+Na]+	277.03051	160.4
[M-H]-	253.03401	154.5
[M+NH4]+	272.07511	169.7
[M+K]+	293.00445	156.5
[M+H-H2O]+	237.03855	144.2
[M+HCOO]-	299.03949	167.8
[M+CH3COO]-	313.05514	190.3
[M+Na-2H]-	275.01596	157.5
[M]+	254.04074	154.8
[M]-	254.04184	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe