CID 15026344

89102-78-3

Structural Information

Molecular Formula

C₁₀H₈ClNO

SMILES

C1=CC=C(C=C1)C2=NC=C(O2)CCl

InChI

InChI=1S/C10H8ClNO/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey

CDMTXVZVZBKYIC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 193.02943 Da
Monoisotopic Mass: 3.4
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]+	194.03671	137.7
[M+Na]+	216.01865	147.8
[M-H]-	192.02215	143.9
[M+NH4]+	211.06325	157.2
[M+K]+	231.99259	144.6
[M+H-H2O]+	176.02669	131.2
[M+HCOO]-	238.02763	157.5
[M+CH3COO]-	252.04328	152.1
[M+Na-2H]-	214.00410	144.8
[M]+	193.02888	141.0
[M]-	193.02998	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe