CID 13307993

93498-41-0

Structural Information

Molecular Formula

C₅H₄F₃NO₂

SMILES

C1=C(ON=C1C(F)(F)F)CO

InChI

InChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)11-9-4/h1,10H,2H2

InChIKey

SDBWSJXWRRQFKC-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 167.01941 Da
Monoisotopic Mass: 0.4
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]+	168.02669	125.5
[M+Na]+	190.00863	135.6
[M-H]-	166.01213	123.8
[M+NH4]+	185.05323	144.7
[M+K]+	205.98257	135.0
[M+H-H2O]+	150.01667	118.0
[M+HCOO]-	212.01761	144.1
[M+CH3COO]-	226.03326	172.4
[M+Na-2H]-	187.99408	132.3
[M]+	167.01886	123.0
[M]-	167.01996	123.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe