CID 94523

41934-47-8

Structural Information

Molecular Formula

C₁₄H₁₄F₃NO₂

SMILES

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

InChI

InChI=1S/C14H14F3NO2/c1-3-18(4-2)9-5-6-10-11(14(15,16)17)8-13(19)20-12(10)7-9/h5-8H,3-4H2,1-2H3

InChIKey

UIMOXRDVWDLOHW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1215
Patents: 285.09766 Da
Monoisotopic Mass: 3.6
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]+	286.10494	161.0
[M+Na]+	308.08688	170.8
[M-H]-	284.09038	164.2
[M+NH4]+	303.13148	177.5
[M+K]+	324.06082	168.8
[M+H-H2O]+	268.09492	151.7
[M+HCOO]-	330.09586	180.1
[M+CH3COO]-	344.11151	206.8
[M+Na-2H]-	306.07233	166.9
[M]+	285.09711	161.9
[M]-	285.09821	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe