CID 3067581

81744-04-9

Structural Information

Molecular Formula

C₁₃H₈FNOSe

SMILES

C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)C=C(C=C3)F

InChI

InChI=1S/C13H8FNOSe/c14-9-6-7-11-12(8-9)17-15(13(11)16)10-4-2-1-3-5-10/h1-8H

InChIKey

ANYIOLGWABIXMD-UHFFFAOYSA-N

Compound name

6-fluoro-2-phenyl-1,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 292.97552 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe