CID 5274751

Chembl3706791

Structural Information

Molecular Formula
C14H9FN2O2Se
SMILES
CC1=NC2=C([Se]1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C14H9FN2O2Se/c1-7-16-12-13(19)10(6-11(18)14(12)20-7)17-9-4-2-8(15)3-5-9/h2-6,17H,1H3
InChIKey
YQXUGFIZYWQUNC-UHFFFAOYSA-N
Compound name
5-(4-fluoroanilino)-2-methyl-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.98132 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.98860 169.5
[M+Na]+ 358.97054 179.7
[M-H]- 334.97404 175.1
[M+NH4]+ 354.01514 186.9
[M+K]+ 374.94448 174.2
[M+H-H2O]+ 318.97858 160.5
[M+HCOO]- 380.97952 191.4
[M+CH3COO]- 394.99517 203.7
[M+Na-2H]- 356.95599 171.6
[M]+ 335.98077 169.3
[M]- 335.98187 169.3
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.