CID 164886526

2524641-00-5

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 166.9
[M+Na]+ 345.95082 178.8
[M-H]- 321.95432 173.5
[M+NH4]+ 340.99542 185.9
[M+K]+ 361.92476 171.6
[M+H-H2O]+ 305.95886 159.1
[M+HCOO]- 367.95980 186.6
[M+CH3COO]- 381.97545 179.9
[M+Na-2H]- 343.93627 171.5
[M]+ 322.96105 171.8
[M]- 322.96215 171.8
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.