CID 215105

Ur 81

Structural Information

Molecular Formula
C9H8BrN3O2
SMILES
CN1C(=O)NC(=O)N1C2=CC=C(C=C2)Br
InChI
InChI=1S/C9H8BrN3O2/c1-12-8(14)11-9(15)13(12)7-4-2-6(10)3-5-7/h2-5H,1H3,(H,11,14,15)
InChIKey
ZGGAEDYOJUGUTH-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-methyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.97998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.987256 144.9
[M+Na]+ 291.969198 160.0
[M-H]- 267.972704 150.6
[M+NH4]+ 287.013803 162.9
[M+K]+ 307.943138 147.7
[M+H-H2O]+ 251.977240 143.8
[M+HCOO]- 313.978181 164.8
[M+CH3COO]- 327.993831 189.8
[M+Na-2H]- 289.954646 150.8
[M]+ 268.97943142 164.4
[M]- 268.98052858 164.4
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