CID 5274757

Chembl3706794

Structural Information

Molecular Formula
C15H9F3N2O2Se
SMILES
CC1=NC2=C([Se]1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C15H9F3N2O2Se/c1-7-19-12-13(22)10(6-11(21)14(12)23-7)20-9-4-2-8(3-5-9)15(16,17)18/h2-6,20H,1H3
InChIKey
GOWSEHMQUHHIQI-UHFFFAOYSA-N
Compound name
2-methyl-5-[4-(trifluoromethyl)anilino]-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.97812 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.98540 181.4
[M+Na]+ 408.96734 191.7
[M-H]- 384.97084 184.4
[M+NH4]+ 404.01194 196.7
[M+K]+ 424.94128 185.5
[M+H-H2O]+ 368.97538 170.9
[M+HCOO]- 430.97632 199.1
[M+CH3COO]- 444.99197 211.9
[M+Na-2H]- 406.95279 182.7
[M]+ 385.97757 178.7
[M]- 385.97867 178.7
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.