CID 2758655

53808-62-1

Structural Information

Molecular Formula
C5H6Se3
SMILES
CC1=C([Se]C(=[Se])[Se]1)C
InChI
InChI=1S/C5H6Se3/c1-3-4(2)8-5(6)7-3/h1-2H3
InChIKey
RCRYPJPDJQMECE-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,3-diselenole-2-selone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

305.7965 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.80378 155.8
[M+Na]+ 328.78572 164.4
[M-H]- 304.78922 158.8
[M+NH4]+ 323.83032 179.4
[M+K]+ 344.75966 161.5
[M+H-H2O]+ 288.79376 149.6
[M+HCOO]- 350.79470 179.6
[M+CH3COO]- 364.81035 176.9
[M+Na-2H]- 326.77117 157.2
[M]+ 305.79595 156.2
[M]- 305.79705 156.2
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