CID 368648

81743-90-0

Structural Information

Molecular Formula
C13H8ClNOSe
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C13H8ClNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChIKey
KIFWXWMOJVGFLN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

308.94595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.95323 159.0
[M+Na]+ 331.93517 177.0
[M+NH4]+ 326.97977 169.1
[M+K]+ 347.90911 168.6
[M-H]- 307.93867 164.1
[M+Na-2H]- 329.92062 168.8
[M]+ 308.94540 163.6
[M]- 308.94650 163.6
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