CID 81618094

2-chloro-1-(4-methyl-1,3-oxazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C6H6ClNO2
SMILES
CC1=C(OC=N1)C(=O)CCl
InChI
InChI=1S/C6H6ClNO2/c1-4-6(5(9)2-7)10-3-8-4/h3H,2H2,1H3
InChIKey
JKSWGKLXYCOCDA-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methyl-1,3-oxazol-5-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 127.8
[M+Na]+ 181.99793 140.4
[M+NH4]+ 177.04253 136.0
[M+K]+ 197.97187 137.0
[M-H]- 158.00143 129.4
[M+Na-2H]- 179.98338 133.0
[M]+ 159.00816 130.2
[M]- 159.00926 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.