CID 367722

Nsc637655

Structural Information

Molecular Formula

C₇H₅NO₂Se

SMILES

C1=CC=C2C(=C1)C(=O)N[Se]2=O

InChI

InChI=1S/C7H5NO2Se/c9-7-5-3-1-2-4-6(5)11(10)8-7/h1-4H,(H,8,9)

InChIKey

REQPPSYNYCNXCP-UHFFFAOYSA-N

Compound name

1-oxo-1lambda4,2-benzoselenazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.94855 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]+	215.95583	138.0
[M+Na]+	237.93777	147.7
[M-H]-	213.94127	140.0
[M+NH4]+	232.98237	159.7
[M+K]+	253.91171	144.1
[M+H-H2O]+	197.94581	132.0
[M+HCOO]-	259.94675	159.5
[M+CH3COO]-	273.96240	173.0
[M+Na-2H]-	235.92322	143.3
[M]+	214.94800	136.6
[M]-	214.94910	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.