CID 69530

Dtxsid30275709

Structural Information

Molecular Formula
C6H6Se
SMILES
C1=CC=C(C=C1)[SeH]
InChI
InChI=1S/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey
WDODWFPDZYSKIA-UHFFFAOYSA-N
Compound name
benzeneselenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

2741
Patents

157.96347 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.97075 126.2
[M+Na]+ 180.95269 134.0
[M-H]- 156.95619 129.7
[M+NH4]+ 175.99729 149.2
[M+K]+ 196.92663 132.5
[M+H-H2O]+ 140.96073 120.7
[M+HCOO]- 202.96167 150.8
[M+CH3COO]- 216.97732 167.8
[M+Na-2H]- 178.93814 134.5
[M]+ 157.96292 125.4
[M]- 157.96402 125.4
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