CID 100641

53518-15-3

Structural Information

Molecular Formula

C₁₀H₆F₃NO₂

SMILES

C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C10H6F3NO2/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4H,14H2

InChIKey

JBNOVHJXQSHGRL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 65
References: 5844
Patents: 229.03506 Da
Monoisotopic Mass: 2.1
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]+	230.04234	147.7
[M+Na]+	252.02428	158.3
[M+NH4]+	247.06888	153.6
[M+K]+	267.99822	153.4
[M-H]-	228.02778	146.9
[M+Na-2H]-	250.00973	151.7
[M]+	229.03451	148.8
[M]-	229.03561	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe