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

74
Patents

171.97913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.98641 130.9
[M+Na]+ 194.96835 138.3
[M-H]- 170.97185 134.2
[M+NH4]+ 190.01295 153.4
[M+K]+ 210.94229 136.6
[M+H-H2O]+ 154.97639 125.2
[M+HCOO]- 216.97733 155.2
[M+CH3COO]- 230.99298 170.8
[M+Na-2H]- 192.95380 138.7
[M]+ 171.97858 130.5
[M]- 171.97968 130.5
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