CID 11728143

(2e)-2-benzylidene-4-phenyl-1,3-diselenole

Structural Information

Molecular Formula
C16H12Se2
SMILES
C1=CC=C(C=C1)/C=C/2\[Se]C=C([Se]2)C3=CC=CC=C3
InChI
InChI=1S/C16H12Se2/c1-3-7-13(8-4-1)11-16-17-12-15(18-16)14-9-5-2-6-10-14/h1-12H/b16-11+
InChIKey
KOBBNTRQXCFGMG-LFIBNONCSA-N
Compound name
(2E)-2-benzylidene-4-phenyl-1,3-diselenole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

363.92694 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.93422 177.6
[M+Na]+ 386.91616 183.1
[M-H]- 362.91966 185.9
[M+NH4]+ 381.96076 195.3
[M+K]+ 402.89010 176.6
[M+H-H2O]+ 346.92420 168.4
[M+HCOO]- 408.92514 200.2
[M+CH3COO]- 422.94079 188.4
[M+Na-2H]- 384.90161 178.8
[M]+ 363.92639 174.2
[M]- 363.92749 174.2
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

No patent data available for this compound.