CID 682277

132784-60-2

Structural Information

Molecular Formula

C₁₁H₇Cl₂NO

SMILES

C1=CC=C(C=C1)C2=CC(=NO2)C=C(Cl)Cl

InChI

InChI=1S/C11H7Cl2NO/c12-11(13)7-9-6-10(15-14-9)8-4-2-1-3-5-8/h1-7H

InChIKey

UHKQVZNOJCRPQW-UHFFFAOYSA-N

Compound name

3-(2,2-dichloroethenyl)-5-phenyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.99046 Da
Monoisotopic Mass: 4.0
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]+	239.997736	149.3
[M+Na]+	261.979678	159.3
[M-H]-	237.983184	154.6
[M+NH4]+	257.024283	167.1
[M+K]+	277.953618	154.3
[M+H-H2O]+	221.987720	143.0
[M+HCOO]-	283.988661	162.6
[M+CH3COO]-	298.004311	162.2
[M+Na-2H]-	259.965126	153.6
[M]+	238.98991142	152.6
[M]-	238.99100858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe