CID 3067588

(1,3)dioxolo(4,5-g)-1,2-benzisoselenazol-3(2h)-one, 2-phenyl-

Structural Information

Molecular Formula
C14H9NO3Se
SMILES
C1OC2=C(O1)C3=C(C=C2)C(=O)N([Se]3)C4=CC=CC=C4
InChI
InChI=1S/C14H9NO3Se/c16-14-10-6-7-11-12(18-8-17-11)13(10)19-15(14)9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
MQELQDRIOHUXDR-UHFFFAOYSA-N
Compound name
2-phenyl-[1,3]dioxolo[4,5-g][1,2]benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.97476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.98204 160.7
[M+Na]+ 341.96398 176.4
[M+NH4]+ 337.00858 169.9
[M+K]+ 357.93792 172.7
[M-H]- 317.96748 167.4
[M+Na-2H]- 339.94943 166.8
[M]+ 318.97421 165.0
[M]- 318.97531 165.0
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