CID 409728

5454-71-7

Structural Information

Molecular Formula
C9H9HgIO
SMILES
C1C(OC2=CC=CC=C21)C[Hg]I
InChI
InChI=1S/C9H9O.Hg.HI/c1-7-6-8-4-2-3-5-9(8)10-7;;/h2-5,7H,1,6H2;;1H/q;+1;/p-1
InChIKey
XOVROOJIEOQTEM-UHFFFAOYSA-M
Compound name
2,3-dihydro-1-benzofuran-2-ylmethyl(iodo)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

461.94046 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.94774 176.5
[M+Na]+ 484.92968 176.1
[M-H]- 460.93318 172.8
[M+NH4]+ 479.97428 191.6
[M+K]+ 500.90362 179.3
[M+H-H2O]+ 444.93772 165.8
[M+HCOO]- 506.93866 191.8
[M+CH3COO]- 520.95431 193.8
[M+Na-2H]- 482.91513 167.8
[M]+ 461.93991 174.6
[M]- 461.94101 174.6
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

patents stripe