CID 9794289

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

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCl

InChI

InChI=1S/C11H10ClNO/c1-8-10(7-12)13-11(14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey

VCTKYTBWZTZPHF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 705
Patents: 207.04509 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]+	208.05237	142.3
[M+Na]+	230.03431	153.0
[M-H]-	206.03781	148.7
[M+NH4]+	225.07891	161.6
[M+K]+	246.00825	149.5
[M+H-H2O]+	190.04235	135.9
[M+HCOO]-	252.04329	161.8
[M+CH3COO]-	266.05894	156.7
[M+Na-2H]-	228.01976	148.2
[M]+	207.04454	146.4
[M]-	207.04564	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe