CID 56658623

4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole

Structural Information

Molecular Formula

C₁₂H₁₂ClNO₂

SMILES

CCOC1=CC=C(C=C1)C2=NC(=CO2)CCl

InChI

InChI=1S/C12H12ClNO2/c1-2-15-11-5-3-9(4-6-11)12-14-10(7-13)8-16-12/h3-6,8H,2,7H2,1H3

InChIKey

GYMFXJDUERCVIF-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-(4-ethoxyphenyl)-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.05565 Da
Monoisotopic Mass: 2.8
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]+	238.062926	150.0
[M+Na]+	260.044868	160.1
[M-H]-	236.048374	156.3
[M+NH4]+	255.089473	168.0
[M+K]+	276.018808	156.9
[M+H-H2O]+	220.052910	143.2
[M+HCOO]-	282.053851	169.3
[M+CH3COO]-	296.069501	188.6
[M+Na-2H]-	258.030316	155.3
[M]+	237.05510142	155.9
[M]-	237.05619858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe