CID 121552767

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

Structural Information

Molecular Formula
C5H5ClN2O2
SMILES
CC1=NON=C1C(=O)CCl
InChI
InChI=1S/C5H5ClN2O2/c1-3-5(4(9)2-6)8-10-7-3/h2H2,1H3
InChIKey
FOUIVZZRPQOZBN-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.00395 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.011226 127.3
[M+Na]+ 182.993168 137.9
[M-H]- 158.996674 129.2
[M+NH4]+ 178.037773 146.8
[M+K]+ 198.967108 136.9
[M+H-H2O]+ 143.001210 121.3
[M+HCOO]- 205.002151 145.2
[M+CH3COO]- 219.017801 173.7
[M+Na-2H]- 180.978616 133.5
[M]+ 160.00340142 131.5
[M]- 160.00449858 131.5
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.