CID 2736894

5-methylisoxazole-3-carbonyl chloride

Structural Information

Molecular Formula

C₅H₄ClNO₂

SMILES

CC1=CC(=NO1)C(=O)Cl

InChI

InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3

InChIKey

XMVNMWDLOGSUSM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 703
Patents: 144.99306 Da
Monoisotopic Mass: 1.7
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]+	146.00034	123.2
[M+Na]+	167.98228	136.1
[M+NH4]+	163.02688	131.6
[M+K]+	183.95622	132.9
[M-H]-	143.98578	124.9
[M+Na-2H]-	165.96773	128.7
[M]+	144.99251	125.7
[M]-	144.99361	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe