CID 135646665

1018047-82-9

Structural Information

Molecular Formula

C₁₀H₇F₃N₂O₂

SMILES

C1CC1C2=NOC3=C2C(=CC(=O)N3)C(F)(F)F

InChI

InChI=1S/C10H7F3N2O2/c11-10(12,13)5-3-6(16)14-9-7(5)8(15-17-9)4-1-2-4/h3-4H,1-2H2,(H,14,16)

InChIKey

WJEIJTKVKRCVSV-UHFFFAOYSA-N

Compound name

3-cyclopropyl-4-(trifluoromethyl)-7H-[1,2]oxazolo[5,4-b]pyridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.04596 Da
Monoisotopic Mass: 1.1
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]+	245.053236	146.7
[M+Na]+	267.035178	160.8
[M-H]-	243.038684	149.1
[M+NH4]+	262.079783	158.1
[M+K]+	283.009118	155.4
[M+H-H2O]+	227.043220	137.5
[M+HCOO]-	289.044161	163.9
[M+CH3COO]-	303.059811	190.6
[M+Na-2H]-	265.020626	152.9
[M]+	244.04541142	148.1
[M]-	244.04650858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.