CID 21850563

135026-17-4

Structural Information

Molecular Formula

C₇H₇F₃N₂O₃

SMILES

CCOC(=O)C1=C(N=C(O1)N)C(F)(F)F

InChI

InChI=1S/C7H7F3N2O3/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)

InChIKey

MWTKTJSKHCDMOW-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 224.04088 Da
Monoisotopic Mass: 1.5
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]+	225.04816	149.3
[M+Na]+	247.03010	155.5
[M+NH4]+	242.07470	152.6
[M+K]+	263.00404	155.0
[M-H]-	223.03360	145.0
[M+Na-2H]-	245.01555	149.7
[M]+	224.04033	148.3
[M]-	224.04143	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe