CID 11458249

3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1C(ON=C1CCl)C2=CC=CC=C2

InChI

InChI=1S/C10H10ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2

InChIKey

NFPOZCYAWVJLAF-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-5-phenyl-4,5-dihydro-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 195.04509 Da
Monoisotopic Mass: 2.3
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]+	196.052366	139.5
[M+Na]+	218.034308	148.5
[M-H]-	194.037814	145.3
[M+NH4]+	213.078913	158.8
[M+K]+	234.008248	145.5
[M+H-H2O]+	178.042350	133.0
[M+HCOO]-	240.043291	157.8
[M+CH3COO]-	254.058941	153.3
[M+Na-2H]-	216.019756	145.6
[M]+	195.04454142	141.3
[M]-	195.04563858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe