CID 6327864

2-benzoxazoleselenol

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)N=C(O2)[Se]

InChI

InChI=1S/C7H4NOSe/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H

InChIKey

DLYDAGMVYCDIHB-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 695
Patents: 197.94582 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]+	198.95310	132.9
[M+Na]+	220.93504	143.9
[M-H]-	196.93854	137.2
[M+NH4]+	215.97964	154.9
[M+K]+	236.90898	142.5
[M+H-H2O]+	180.94308	126.7
[M+HCOO]-	242.94402	157.4
[M+CH3COO]-	256.95967	148.1
[M+Na-2H]-	218.92049	142.2
[M]+	197.94527	136.4
[M]-	197.94637	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.