CID 688586

7-methoxy-4-(trifluoromethyl)coumarin

Structural Information

Molecular Formula

C₁₁H₇F₃O₃

SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

InChI

InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3

InChIKey

HAZHUELNIGDYQH-UHFFFAOYSA-N

Compound name

7-methoxy-4-(trifluoromethyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 732
Patents: 244.03473 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]+	245.04201	153.1
[M+Na]+	267.02395	164.5
[M+NH4]+	262.06855	158.9
[M+K]+	282.99789	159.1
[M-H]-	243.02745	151.7
[M+Na-2H]-	265.00940	157.0
[M]+	244.03418	154.2
[M]-	244.03528	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe