CID 3067583

1,2-benzisoselenazol-3(2h)-one, 6-chloro-2-phenyl-

Structural Information

Molecular Formula
C13H8ClNOSe
SMILES
C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)C=C(C=C3)Cl
InChI
InChI=1S/C13H8ClNOSe/c14-9-6-7-11-12(8-9)17-15(13(11)16)10-4-2-1-3-5-10/h1-8H
InChIKey
GSGCUMAHCJUQGR-UHFFFAOYSA-N
Compound name
6-chloro-2-phenyl-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

308.94595 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.95323 162.1
[M+Na]+ 331.93517 174.5
[M-H]- 307.93867 168.9
[M+NH4]+ 326.97977 181.7
[M+K]+ 347.90911 167.5
[M+H-H2O]+ 291.94321 154.5
[M+HCOO]- 353.94415 182.2
[M+CH3COO]- 367.95980 175.6
[M+Na-2H]- 329.92062 167.3
[M]+ 308.94540 166.7
[M]- 308.94650 166.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe