CID 118248

Brn 0814005

Structural Information

Molecular Formula
C11H6ClN3O3
SMILES
C1=CC=C(C(=C1)C2C(=O)OC3=NC=NC(=O)N23)Cl
InChI
InChI=1S/C11H6ClN3O3/c12-7-4-2-1-3-6(7)8-9(16)18-11-14-5-13-10(17)15(8)11/h1-5,8H
InChIKey
PSOXJXIXRPKCEP-UHFFFAOYSA-N
Compound name
6-(2-chlorophenyl)-6H-[1,3]oxazolo[3,2-a][1,3,5]triazine-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.00977 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.01705 153.1
[M+Na]+ 285.99899 166.1
[M-H]- 262.00249 158.3
[M+NH4]+ 281.04359 168.2
[M+K]+ 301.97293 161.9
[M+H-H2O]+ 246.00703 144.7
[M+HCOO]- 308.00797 168.7
[M+CH3COO]- 322.02362 166.3
[M+Na-2H]- 283.98444 158.7
[M]+ 263.00922 157.6
[M]- 263.01032 157.6
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

No patent data available for this compound.