CID 126971910

1823901-92-3

Structural Information

Molecular Formula

C₅H₃ClF₃NO

SMILES

C1=NC(=C(O1)C(F)(F)F)CCl

InChI

InChI=1S/C5H3ClF3NO/c6-1-3-4(5(7,8)9)11-2-10-3/h2H,1H2

InChIKey

QEIPIOQJUXXGAX-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.98552 Da
Monoisotopic Mass: 1.7
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]+	185.99280	127.7
[M+Na]+	207.97474	139.0
[M-H]-	183.97824	127.2
[M+NH4]+	203.01934	147.8
[M+K]+	223.94868	136.8
[M+H-H2O]+	167.98278	120.6
[M+HCOO]-	229.98372	142.9
[M+CH3COO]-	243.99937	176.9
[M+Na-2H]-	205.96019	134.4
[M]+	184.98497	127.4
[M]-	184.98607	127.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.