CID 2776515

91182-77-3

Structural Information

Molecular Formula

C₁₁H₈ClNO₂

SMILES

CC1=NOC(=C1C(=O)Cl)C2=CC=CC=C2

InChI

InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(15-13-7)8-5-3-2-4-6-8/h2-6H,1H3

InChIKey

YVFYIVAJRVFJHR-UHFFFAOYSA-N

Compound name

3-methyl-5-phenyl-1,2-oxazole-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 221.02435 Da
Monoisotopic Mass: 2.9
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]+	222.03163	144.0
[M+Na]+	244.01357	159.1
[M+NH4]+	239.05817	152.7
[M+K]+	259.98751	154.2
[M-H]-	220.01707	148.4
[M+Na-2H]-	241.99902	152.0
[M]+	221.02380	147.8
[M]-	221.02490	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe