CID 131701556

2-(4-bromophenyl)-5,6-dihydro-4h-1,3,4-oxadiazin-5-one

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
C1C(=O)NN=C(O1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H7BrN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(13)5-14-9/h1-4H,5H2,(H,11,13)
InChIKey
MWVSLQNUWMNTDX-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-4H-1,3,4-oxadiazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.96909 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.97637 144.4
[M+Na]+ 276.95831 155.6
[M-H]- 252.96181 150.4
[M+NH4]+ 272.00291 160.5
[M+K]+ 292.93225 145.1
[M+H-H2O]+ 236.96635 143.1
[M+HCOO]- 298.96729 161.0
[M+CH3COO]- 312.98294 158.3
[M+Na-2H]- 274.94376 152.9
[M]+ 253.96854 160.6
[M]- 253.96964 160.6
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

patents stripe