CID 12223060

6-(chloromethyl)-3-phenyl-5,6-dihydro-4h-1,2,4-oxadiazine

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1C(ONC(=N1)C2=CC=CC=C2)CCl
InChI
InChI=1S/C10H11ClN2O/c11-6-9-7-12-10(13-14-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKey
WZJCDAHJVIMHRG-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-3-phenyl-5,6-dihydro-2H-1,2,4-oxadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

210.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 143.7
[M+Na]+ 233.04520 151.3
[M-H]- 209.04870 146.2
[M+NH4]+ 228.08980 158.3
[M+K]+ 249.01914 147.3
[M+H-H2O]+ 193.05324 135.8
[M+HCOO]- 255.05418 156.9
[M+CH3COO]- 269.06983 155.3
[M+Na-2H]- 231.03065 150.9
[M]+ 210.05543 142.0
[M]- 210.05653 142.0
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

patents stripe