CID 78050

Selenoanisole

Structural Information

Molecular Formula
C7H8Se
SMILES
C[Se]C1=CC=CC=C1
InChI
InChI=1S/C7H8Se/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
CMWZAOHBWAWUGF-UHFFFAOYSA-N
Compound name
methylselanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

171.97913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.98641 129.1
[M+Na]+ 194.96835 143.1
[M+NH4]+ 190.01295 139.4
[M+K]+ 210.94229 134.7
[M-H]- 170.97185 132.6
[M+Na-2H]- 192.95380 137.7
[M]+ 171.97858 132.2
[M]- 171.97968 132.2
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