CID 621325

Selenoxanthen-9-one

Structural Information

Molecular Formula
C13H8OSe
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3[Se]2
InChI
InChI=1S/C13H8OSe/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
InChIKey
KNIBLZOPSUGNAP-UHFFFAOYSA-N
Compound name
selenoxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

259.97403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.98131 147.1
[M+Na]+ 282.96325 165.1
[M+NH4]+ 278.00785 158.2
[M+K]+ 298.93719 154.8
[M-H]- 258.96675 152.3
[M+Na-2H]- 280.94870 157.0
[M]+ 259.97348 151.5
[M]- 259.97458 151.5
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

patents stripe