CID 72212326

1060816-36-5

Structural Information

Molecular Formula

C₄H₂ClNO₂

SMILES

C1=C(N=C(O1)Cl)C=O

InChI

InChI=1S/C4H2ClNO2/c5-4-6-3(1-7)2-8-4/h1-2H

InChIKey

IBLNEKZYAQOCJJ-UHFFFAOYSA-N

Compound name

2-chloro-1,3-oxazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 130.9774 Da
Monoisotopic Mass: 1.1
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]+	131.98468	118.1
[M+Na]+	153.96662	129.5
[M-H]-	129.97012	121.6
[M+NH4]+	149.01122	140.3
[M+K]+	169.94056	128.4
[M+H-H2O]+	113.97466	113.5
[M+HCOO]-	175.97560	138.7
[M+CH3COO]-	189.99125	167.0
[M+Na-2H]-	151.95207	126.3
[M]+	130.97685	122.2
[M]-	130.97795	122.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe