CID 2763188

35629-71-1

Structural Information

Molecular Formula

C₄H₃F₃N₂O

SMILES

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

InChI

InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)

InChIKey

LUSFWEXIRSHBNN-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 152.01974 Da
Monoisotopic Mass: 0.9
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]+	153.02702	130.5
[M+Na]+	175.00896	138.1
[M+NH4]+	170.05356	135.8
[M+K]+	190.98290	136.6
[M-H]-	151.01246	127.6
[M+Na-2H]-	172.99441	133.3
[M]+	152.01919	130.3
[M]-	152.02029	130.3

Literature stripe

literature stripe

Patent stripe

patents stripe