CID 3067567

1,2-benzisoselenazol-3(2h)-one, 2-(4-fluorophenyl)-

Structural Information

Molecular Formula
C13H8FNOSe
SMILES
C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CC=C(C=C3)F
InChI
InChI=1S/C13H8FNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChIKey
CMIGAQUBRPEFDM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1,2-benzoselenazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

292.97552 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.98280 157.3
[M+Na]+ 315.96474 169.0
[M-H]- 291.96824 163.1
[M+NH4]+ 311.00934 176.7
[M+K]+ 331.93868 163.2
[M+H-H2O]+ 275.97278 148.5
[M+HCOO]- 337.97372 181.1
[M+CH3COO]- 351.98937 170.8
[M+Na-2H]- 313.95019 162.6
[M]+ 292.97497 158.7
[M]- 292.97607 158.7
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