CID 101450

Benzyl selenocyanate

Structural Information

Molecular Formula
C8H7NSe
SMILES
C1=CC=C(C=C1)C[Se]C#N
InChI
InChI=1S/C8H7NSe/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChIKey
WSKWDMOVMQKKQI-UHFFFAOYSA-N
Compound name
benzyl selenocyanate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

82
Patents

196.97437 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.981646 138.3
[M+Na]+ 219.963588 147.7
[M-H]- 195.967094 141.1
[M+NH4]+ 215.008193 157.6
[M+K]+ 235.937528 144.1
[M+H-H2O]+ 179.971630 125.8
[M+HCOO]- 241.972571 158.7
[M+CH3COO]- 255.988221 187.9
[M+Na-2H]- 217.949036 145.0
[M]+ 196.97382142 133.3
[M]- 196.97491858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe