CID 17437

2597-93-5

Structural Information

Molecular Formula
C11H7Cl6HgNO2
SMILES
CC[Hg]N1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H3Cl6NO2.C2H5.Hg/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,14)15;1-2;/h1-2H,(H,16,17,18);1H2,2H3;/q;;+1/p-1
InChIKey
HTCXJNNIWILFQQ-UHFFFAOYSA-M
Compound name
ethyl-(1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

596.8314 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.83868 216.5
[M+Na]+ 619.82062 226.7
[M-H]- 595.82412 211.9
[M+NH4]+ 614.86522 235.0
[M+K]+ 635.79456 219.3
[M+H-H2O]+ 579.82866 214.0
[M+HCOO]- 641.82960 204.0
[M+CH3COO]- 655.84525 220.6
[M+Na-2H]- 617.80607 208.2
[M]+ 596.83085 215.1
[M]- 596.83195 215.1
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