CID 5702836

119179-66-7

Structural Information

Molecular Formula

C₁₀H₄ClF₃O₃

SMILES

C1=C2C(=CC(=O)OC2=CC(=C1Cl)O)C(F)(F)F

InChI

InChI=1S/C10H4ClF3O3/c11-6-1-4-5(10(12,13)14)2-9(16)17-8(4)3-7(6)15/h1-3,15H

InChIKey

AJOANILONFCHFL-UHFFFAOYSA-N

Compound name

6-chloro-7-hydroxy-4-(trifluoromethyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 263.9801 Da
Monoisotopic Mass: 2.6
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]+	264.98738	145.5
[M+Na]+	286.96932	158.9
[M-H]-	262.97282	146.9
[M+NH4]+	282.01392	163.0
[M+K]+	302.94326	154.6
[M+H-H2O]+	246.97736	138.8
[M+HCOO]-	308.97830	158.7
[M+CH3COO]-	322.99395	191.1
[M+Na-2H]-	284.95477	152.7
[M]+	263.97955	146.8
[M]-	263.98065	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe