CID 23427

Benzeneseleninic acid

Structural Information

Molecular Formula
C6H6O2Se
SMILES
C1=CC=C(C=C1)[Se](=O)O
InChI
InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
InChIKey
WIHKGDVGLJJAMC-UHFFFAOYSA-N
Compound name
benzeneseleninic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

113
Patents

189.9533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96058 131.6
[M+Na]+ 212.94252 143.9
[M+NH4]+ 207.98712 140.0
[M+K]+ 228.91646 137.8
[M-H]- 188.94602 132.9
[M+Na-2H]- 210.92797 138.2
[M]+ 189.95275 133.6
[M]- 189.95385 133.6
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