CID 3064838

Brn 5540342

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CC1(C(=NNC(=O)O1)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C11H11ClN2O2/c1-11(2)9(13-14-10(15)16-11)7-3-5-8(12)6-4-7/h3-6H,1-2H3,(H,14,15)
InChIKey
WLBJOSIBWZSOMT-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-6,6-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 149.0
[M+Na]+ 261.040118 159.3
[M-H]- 237.043624 152.8
[M+NH4]+ 256.084723 165.1
[M+K]+ 277.014058 155.4
[M+H-H2O]+ 221.048160 142.0
[M+HCOO]- 283.049101 162.5
[M+CH3COO]- 297.064751 186.5
[M+Na-2H]- 259.025566 155.5
[M]+ 238.05035142 149.6
[M]- 238.05144858 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.