CID 13704479

7-coumaryl triflate

Structural Information

Molecular Formula

C₁₀H₅F₃O₅S

SMILES

C1=CC(=CC2=C1C=CC(=O)O2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C10H5F3O5S/c11-10(12,13)19(15,16)18-7-3-1-6-2-4-9(14)17-8(6)5-7/h1-5H

InChIKey

RHZZAJVDTLUWRD-UHFFFAOYSA-N

Compound name

(2-oxochromen-7-yl) trifluoromethanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 293.981 Da
Monoisotopic Mass: 2.7
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]+	294.98828	162.4
[M+Na]+	316.97022	171.7
[M+NH4]+	312.01482	166.7
[M+K]+	332.94416	166.5
[M-H]-	292.97372	159.1
[M+Na-2H]-	314.95567	165.0
[M]+	293.98045	163.0
[M]-	293.98155	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe