CID 15555115

39867-96-4

Structural Information

Molecular Formula

C₁₀H₇ClN₂O₃

SMILES

C1=CC(=CC=C1C2=NC(=CO2)CCl)[N+](=O)[O-]

InChI

InChI=1S/C10H7ClN2O3/c11-5-8-6-16-10(12-8)7-1-3-9(4-2-7)13(14)15/h1-4,6H,5H2

InChIKey

JDNZYRXCPGOUJI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.01453 Da
Monoisotopic Mass: 2.3
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]+	239.02181	145.9
[M+Na]+	261.00375	161.4
[M+NH4]+	256.04835	154.4
[M+K]+	276.97769	159.0
[M-H]-	237.00725	151.7
[M+Na-2H]-	258.98920	153.8
[M]+	238.01398	150.0
[M]-	238.01508	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe