CID 241444

32449-49-3

Structural Information

Molecular Formula
C11H8N2O2Se
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CC[Se]C#N
InChI
InChI=1S/C11H8N2O2Se/c12-7-16-6-5-13-10(14)8-3-1-2-4-9(8)11(13)15/h1-4H,5-6H2
InChIKey
UJUAYZXXNLITJJ-UHFFFAOYSA-N
Compound name
2-(1,3-dioxoisoindol-2-yl)ethyl selenocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9751 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.98238 157.0
[M+Na]+ 302.96432 168.3
[M+NH4]+ 298.00892 161.0
[M+K]+ 318.93826 159.7
[M-H]- 278.96782 150.4
[M+Na-2H]- 300.94977 158.0
[M]+ 279.97455 155.7
[M]- 279.97565 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.