CID 165998475

3-(2-chloroethyl)-1,2-oxazole-4-carbaldehyde

Structural Information

Molecular Formula
C6H6ClNO2
SMILES
C1=C(C(=NO1)CCCl)C=O
InChI
InChI=1S/C6H6ClNO2/c7-2-1-6-5(3-9)4-10-8-6/h3-4H,1-2H2
InChIKey
DSDATFRBNVUDAC-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-1,2-oxazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.00871 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.015986 127.7
[M+Na]+ 181.997928 138.2
[M-H]- 158.001434 130.8
[M+NH4]+ 177.042533 148.8
[M+K]+ 197.971868 136.6
[M+H-H2O]+ 142.005970 122.6
[M+HCOO]- 204.006911 147.7
[M+CH3COO]- 218.022561 173.1
[M+Na-2H]- 179.983376 134.8
[M]+ 159.00816142 132.6
[M]- 159.00925858 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.