CID 3064832

105889-13-2

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC1=NNC(=O)OC1(C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H11ClN2O2/c1-7-11(2,16-10(15)14-13-7)8-3-5-9(12)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKey
ZSBCAULXXQNXLR-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-5,6-dimethyl-3H-1,3,4-oxadiazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0509 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 149.0
[M+Na]+ 261.04012 159.3
[M-H]- 237.04362 152.8
[M+NH4]+ 256.08472 165.1
[M+K]+ 277.01406 155.4
[M+H-H2O]+ 221.04816 142.0
[M+HCOO]- 283.04910 162.5
[M+CH3COO]- 297.06475 186.5
[M+Na-2H]- 259.02557 155.5
[M]+ 238.05035 149.6
[M]- 238.05145 149.6
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.