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

183
Patents

189.9533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.96058 133.2
[M+Na]+ 212.94252 140.6
[M-H]- 188.94602 135.3
[M+NH4]+ 207.98712 154.1
[M+K]+ 228.91646 138.9
[M+H-H2O]+ 172.95056 127.6
[M+HCOO]- 234.95150 156.0
[M+CH3COO]- 248.96715 169.0
[M+Na-2H]- 210.92797 139.6
[M]+ 189.95275 132.1
[M]- 189.95385 132.1
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