CID 19623197

934107-62-7

Structural Information

Molecular Formula

C₁₀H₇ClFNO

SMILES

C1=CC(=CC(=C1)F)C2=CC(=NO2)CCl

InChI

InChI=1S/C10H7ClFNO/c11-6-9-5-10(14-13-9)7-2-1-3-8(12)4-7/h1-5H,6H2

InChIKey

LLEZYWLKOFAQSU-UHFFFAOYSA-N

Compound name

3-(chloromethyl)-5-(3-fluorophenyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.02002 Da
Monoisotopic Mass: 2.6
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]+	212.027296	139.8
[M+Na]+	234.009238	150.9
[M-H]-	210.012744	144.9
[M+NH4]+	229.053843	158.8
[M+K]+	249.983178	147.2
[M+H-H2O]+	194.017280	132.6
[M+HCOO]-	256.018221	158.5
[M+CH3COO]-	270.033871	154.0
[M+Na-2H]-	231.994686	145.6
[M]+	211.01947142	142.5
[M]-	211.02056858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe