CID 110719

Phimm

Structural Information

Molecular Formula
C15H7Cl6HgNO2
SMILES
C1=CC=C(C=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H3Cl6NO2.C6H5.Hg/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,14)15;1-2-4-6-5-3-1;/h1-2H,(H,16,17,18);1-5H;/q;;+1/p-1
InChIKey
FNZAAEDNGCUHJL-UHFFFAOYSA-M
Compound name
(1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-phenylmercury
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

644.8314 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.83868 206.0
[M+Na]+ 667.82062 216.7
[M+NH4]+ 662.86522 215.0
[M+K]+ 683.79456 207.4
[M-H]- 643.82412 205.3
[M+Na-2H]- 665.80607 208.2
[M]+ 644.83085 208.8
[M]- 644.83195 208.8
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