CID 11084473

3,5-dichloro-6-methyl-1,4-oxazin-2-one

Structural Information

Molecular Formula
C5H3Cl2NO2
SMILES
CC1=C(N=C(C(=O)O1)Cl)Cl
InChI
InChI=1S/C5H3Cl2NO2/c1-2-3(6)8-4(7)5(9)10-2/h1H3
InChIKey
IQINLHFBRNSNIE-UHFFFAOYSA-N
Compound name
3,5-dichloro-6-methyl-1,4-oxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

178.95409 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.96137 125.5
[M+Na]+ 201.94331 138.6
[M-H]- 177.94681 128.9
[M+NH4]+ 196.98791 145.0
[M+K]+ 217.91725 135.7
[M+H-H2O]+ 161.95135 121.5
[M+HCOO]- 223.95229 139.9
[M+CH3COO]- 237.96794 177.3
[M+Na-2H]- 199.92876 133.4
[M]+ 178.95354 131.1
[M]- 178.95464 131.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe