CID 5272997

Chembl3314696

Structural Information

Molecular Formula
C12H10O2Se2
SMILES
C1=CC=C(C(=C1)O)[Se][Se]C2=CC=CC=C2O
InChI
InChI=1S/C12H10O2Se2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8,13-14H
InChIKey
WXLMISPTCQITOI-UHFFFAOYSA-N
Compound name
2-[(2-hydroxyphenyl)diselanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

345.90112 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.90840 170.7
[M+Na]+ 368.89034 177.3
[M-H]- 344.89384 174.0
[M+NH4]+ 363.93494 186.7
[M+K]+ 384.86428 172.1
[M+H-H2O]+ 328.89838 162.7
[M+HCOO]- 390.89932 191.1
[M+CH3COO]- 404.91497 187.8
[M+Na-2H]- 366.87579 173.9
[M]+ 345.90057 169.6
[M]- 345.90167 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.