CID 17437

Ethylmercurichlorendimide

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

286
Patents

596.8314 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.83868 194.3
[M+Na]+ 619.82062 203.3
[M+NH4]+ 614.86522 202.8
[M+K]+ 635.79456 195.2
[M-H]- 595.82412 191.6
[M+Na-2H]- 617.80607 194.8
[M]+ 596.83085 196.1
[M]- 596.83195 196.1
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