CID 79777240

1510379-35-7

Structural Information

Molecular Formula
C10H9BrN2O2
SMILES
C1CN(C(=O)NC1=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H9BrN2O2/c11-7-2-1-3-8(6-7)13-5-4-9(14)12-10(13)15/h1-3,6H,4-5H2,(H,12,14,15)
InChIKey
AYGUPHLDAAJIAT-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.98474 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.99202 148.5
[M+Na]+ 290.97396 159.3
[M-H]- 266.97746 153.7
[M+NH4]+ 286.01856 165.3
[M+K]+ 306.94790 147.3
[M+H-H2O]+ 250.98200 147.3
[M+HCOO]- 312.98294 164.4
[M+CH3COO]- 326.99859 189.8
[M+Na-2H]- 288.95941 154.2
[M]+ 267.98419 162.7
[M]- 267.98529 162.7
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.