CID 378884

1-naphthyl trifluoromethanesulfonate

Structural Information

Molecular Formula

C₁₁H₇F₃O₃S

SMILES

C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C11H7F3O3S/c12-11(13,14)18(15,16)17-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

InChIKey

WQWUQDVFRYMMCY-UHFFFAOYSA-N

Compound name

naphthalen-1-yl trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 336
Patents: 276.0068 Da
Monoisotopic Mass: 4.4
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]+	277.01408	158.5
[M+Na]+	298.99602	167.9
[M+NH4]+	294.04062	164.2
[M+K]+	314.96996	161.3
[M-H]-	274.99952	155.2
[M+Na-2H]-	296.98147	162.6
[M]+	276.00625	159.2
[M]-	276.00735	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe