CID 23042

Methylseleno-2-benzoic acid

Structural Information

Molecular Formula
C8H8O2Se
SMILES
C[Se]C1=CC=CC=C1C(=O)O
InChI
InChI=1S/C8H8O2Se/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey
QWLIHSCHURTGJX-UHFFFAOYSA-N
Compound name
2-methylselanylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

215.96895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97623 141.4
[M+Na]+ 238.95817 148.9
[M-H]- 214.96167 143.6
[M+NH4]+ 234.00277 161.5
[M+K]+ 254.93211 146.7
[M+H-H2O]+ 198.96621 135.6
[M+HCOO]- 260.96715 163.5
[M+CH3COO]- 274.98280 176.1
[M+Na-2H]- 236.94362 146.0
[M]+ 215.96840 141.4
[M]- 215.96950 141.4
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.