CID 5274761

Chembl182503

Structural Information

Molecular Formula
C15H10FNO3SSe
SMILES
CC1=NC2=C([Se]1)C(=O)C(=C(C2=O)OC)SC3=CC=C(C=C3)F
InChI
InChI=1S/C15H10FNO3SSe/c1-7-17-10-11(18)13(20-2)14(12(19)15(10)22-7)21-9-5-3-8(16)4-6-9/h3-6H,1-2H3
InChIKey
CTYVHVWSNFXECC-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)sulfanyl-5-methoxy-2-methyl-1,3-benzoselenazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.95306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.96034 180.7
[M+Na]+ 405.94228 192.2
[M-H]- 381.94578 186.6
[M+NH4]+ 400.98688 197.4
[M+K]+ 421.91622 186.6
[M+H-H2O]+ 365.95032 172.5
[M+HCOO]- 427.95126 196.5
[M+CH3COO]- 441.96691 208.7
[M+Na-2H]- 403.92773 178.7
[M]+ 382.95251 185.9
[M]- 382.95361 185.9
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.