CID 164736

823-04-1

Structural Information

Molecular Formula
C6H5HgI
SMILES
C1=CC=C(C=C1)[Hg]I
InChI
InChI=1S/C6H5.Hg.HI/c1-2-4-6-5-3-1;;/h1-5H;;1H/q;+1;/p-1
InChIKey
BISBXZWWFIOZSX-UHFFFAOYSA-M
Compound name
iodo(phenyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

405.91425 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.92153 164.2
[M+Na]+ 428.90347 163.6
[M-H]- 404.90697 159.3
[M+NH4]+ 423.94807 179.8
[M+K]+ 444.87741 166.8
[M+H-H2O]+ 388.91151 153.4
[M+HCOO]- 450.91245 181.8
[M+CH3COO]- 464.92810 184.8
[M+Na-2H]- 426.88892 157.0
[M]+ 405.91370 160.9
[M]- 405.91480 160.9
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