CID 2267955

7-butoxy-4-(trifluoromethyl)-2h-chromen-2-one

Structural Information

Molecular Formula

C₁₄H₁₃F₃O₃

SMILES

CCCCOC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F

InChI

InChI=1S/C14H13F3O3/c1-2-3-6-19-9-4-5-10-11(14(15,16)17)8-13(18)20-12(10)7-9/h4-5,7-8H,2-3,6H2,1H3

InChIKey

BXGYIRIVTYGQAU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 286.08167 Da
Monoisotopic Mass: 4.0
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]+	287.08895	166.1
[M+Na]+	309.07089	176.8
[M+NH4]+	304.11549	171.3
[M+K]+	325.04483	170.8
[M-H]-	285.07439	164.5
[M+Na-2H]-	307.05634	169.2
[M]+	286.08112	167.0
[M]-	286.08222	167.0

Literature stripe

literature stripe

Patent stripe

patents stripe