CID 3035066

2-oxo-2-(phenylamino)ethyl selenocyanate

Structural Information

Molecular Formula
C9H8N2OSe
SMILES
C1=CC=C(C=C1)NC(=O)C[Se]C#N
InChI
InChI=1S/C9H8N2OSe/c10-7-13-6-9(12)11-8-4-2-1-3-5-8/h1-5H,6H2,(H,11,12)
InChIKey
ZDTSKVPZSBBTPI-UHFFFAOYSA-N
Compound name
(2-anilino-2-oxoethyl) selenocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98746 151.5
[M+Na]+ 262.96940 159.4
[M-H]- 238.97290 153.9
[M+NH4]+ 258.01400 168.5
[M+K]+ 278.94334 156.1
[M+H-H2O]+ 222.97744 138.1
[M+HCOO]- 284.97838 171.7
[M+CH3COO]- 298.99403 196.0
[M+Na-2H]- 260.95485 156.2
[M]+ 239.97963 145.9
[M]- 239.98073 145.9
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.