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

12
Patents

210.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 143.7
[M+Na]+ 233.045198 151.3
[M-H]- 209.048704 146.2
[M+NH4]+ 228.089803 158.3
[M+K]+ 249.019138 147.3
[M+H-H2O]+ 193.053240 135.8
[M+HCOO]- 255.054181 156.9
[M+CH3COO]- 269.069831 155.3
[M+Na-2H]- 231.030646 150.9
[M]+ 210.05543142 142.0
[M]- 210.05652858 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