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]+ 161.01123 127.3
[M+Na]+ 182.99317 137.9
[M-H]- 158.99667 129.2
[M+NH4]+ 178.03777 146.8
[M+K]+ 198.96711 136.9
[M+H-H2O]+ 143.00121 121.3
[M+HCOO]- 205.00215 145.2
[M+CH3COO]- 219.01780 173.7
[M+Na-2H]- 180.97862 133.5
[M]+ 160.00340 131.5
[M]- 160.00450 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.