CID 80145822

2-chloro-1-(5-methyl-1,2-oxazol-3-yl)ethan-1-one

Structural Information

Molecular Formula
C6H6ClNO2
SMILES
CC1=CC(=NO1)C(=O)CCl
InChI
InChI=1S/C6H6ClNO2/c1-4-2-5(8-10-4)6(9)3-7/h2H,3H2,1H3
InChIKey
TZRBTFJQJXPDIM-UHFFFAOYSA-N
Compound name
2-chloro-1-(5-methyl-1,2-oxazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.00871 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.015986 128.0
[M+Na]+ 181.997928 138.2
[M-H]- 158.001434 131.3
[M+NH4]+ 177.042533 149.0
[M+K]+ 197.971868 137.0
[M+H-H2O]+ 142.005970 123.0
[M+HCOO]- 204.006911 146.9
[M+CH3COO]- 218.022561 173.9
[M+Na-2H]- 179.983376 133.9
[M]+ 159.00816142 132.2
[M]- 159.00925858 132.2
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.