CID 119031150

2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-4,5-dihydro-1,3-oxazole

Structural Information

Molecular Formula

C₁₂H₁₁Cl₂NO

SMILES

CC1(C(=C)OC(=N1)C2=CC(=CC(=C2)Cl)Cl)C

InChI

InChI=1S/C12H11Cl2NO/c1-7-12(2,3)15-11(16-7)8-4-9(13)6-10(14)5-8/h4-6H,1H2,2-3H3

InChIKey

NUHZEWAYELBUEX-UHFFFAOYSA-N

Compound name

2-(3,5-dichlorophenyl)-4,4-dimethyl-5-methylidene-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 1
Patents: 255.02177 Da
Monoisotopic Mass: 3.8
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]+	256.029046	151.5
[M+Na]+	278.010988	163.9
[M-H]-	254.014494	157.7
[M+NH4]+	273.055593	171.6
[M+K]+	293.984928	158.6
[M+H-H2O]+	238.019030	146.6
[M+HCOO]-	300.019971	164.2
[M+CH3COO]-	314.035621	165.2
[M+Na-2H]-	275.996436	154.8
[M]+	255.02122142	155.7
[M]-	255.02231858	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe