CID 10609255

625826-69-9

Structural Information

Molecular Formula

C₁₁H₉ClFNO

SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)F)CCl

InChI

InChI=1S/C11H9ClFNO/c1-7-10(6-12)14-11(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3

InChIKey

AHJILHLRJFFFGV-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-(4-fluorophenyl)-5-methyl-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 225.03568 Da
Monoisotopic Mass: 2.9
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]+	226.04296	144.4
[M+Na]+	248.02490	156.0
[M-H]-	224.02840	149.8
[M+NH4]+	243.06950	163.2
[M+K]+	263.99884	152.1
[M+H-H2O]+	208.03294	137.3
[M+HCOO]-	270.03388	162.8
[M+CH3COO]-	284.04953	187.4
[M+Na-2H]-	246.01035	149.0
[M]+	225.03513	147.9
[M]-	225.03623	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe