CID 164886526

Chembl5273811

Structural Information

Molecular Formula
C14H10ClNOSe
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H10ClNOSe/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)18-16/h1-8H,9H2
InChIKey
XZWKXIFLMYRVTK-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)methyl]-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.9616 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.96888 163.7
[M+Na]+ 345.95082 181.5
[M+NH4]+ 340.99542 173.6
[M+K]+ 361.92476 172.8
[M-H]- 321.95432 168.8
[M+Na-2H]- 343.93627 173.2
[M]+ 322.96105 168.2
[M]- 322.96215 168.2
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.