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]+ 160.01599 127.7
[M+Na]+ 181.99793 138.2
[M-H]- 158.00143 130.8
[M+NH4]+ 177.04253 148.8
[M+K]+ 197.97187 136.6
[M+H-H2O]+ 142.00597 122.6
[M+HCOO]- 204.00691 147.7
[M+CH3COO]- 218.02256 173.1
[M+Na-2H]- 179.98338 134.8
[M]+ 159.00816 132.6
[M]- 159.00926 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.