CID 5274767

4,7-benzoselenazoledione, 5-methoxy-2-methyl-

Structural Information

Molecular Formula
C9H7NO3Se
SMILES
CC1=NC2=C([Se]1)C(=O)C=C(C2=O)OC
InChI
InChI=1S/C9H7NO3Se/c1-4-10-7-8(12)6(13-2)3-5(11)9(7)14-4/h3H,1-2H3
InChIKey
DGWYNDYZCKXGCD-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.9591 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.96638 148.2
[M+Na]+ 279.94832 159.2
[M-H]- 255.95182 152.0
[M+NH4]+ 274.99292 169.5
[M+K]+ 295.92226 156.6
[M+H-H2O]+ 239.95636 142.1
[M+HCOO]- 301.95730 170.7
[M+CH3COO]- 315.97295 186.1
[M+Na-2H]- 277.93377 151.8
[M]+ 256.95855 151.6
[M]- 256.95965 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.