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]+ 160.01599 128.0
[M+Na]+ 181.99793 138.2
[M-H]- 158.00143 131.3
[M+NH4]+ 177.04253 149.0
[M+K]+ 197.97187 137.0
[M+H-H2O]+ 142.00597 123.0
[M+HCOO]- 204.00691 147.0
[M+CH3COO]- 218.02256 173.9
[M+Na-2H]- 179.98338 133.9
[M]+ 159.00816 132.2
[M]- 159.00926 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.