CID 15613879

5-(trifluoromethyl)isoxazol-3-ylamine

Structural Information

Molecular Formula

C₄H₃F₃N₂O

SMILES

C1=C(ON=C1N)C(F)(F)F

InChI

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

InChIKey

LNZJPSYNGYFWKE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
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	121.9
[M+Na]+	175.00896	132.0
[M-H]-	151.01246	121.2
[M+NH4]+	170.05356	141.8
[M+K]+	190.98290	131.6
[M+H-H2O]+	135.01700	114.0
[M+HCOO]-	197.01794	142.5
[M+CH3COO]-	211.03359	174.1
[M+Na-2H]-	172.99441	128.9
[M]+	152.01919	117.7
[M]-	152.02029	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe