CID 4548421

Chloro-[2-(chloromercurio)-4,5-didodecoxy-3,6-dimethylphenyl]mercury

Structural Information

Molecular Formula
C32H56Cl2Hg2O2
SMILES
CCCCCCCCCCCCOC1=C(C(=C(C(=C1OCCCCCCCCCCCC)C)[Hg]Cl)[Hg]Cl)C
InChI
InChI=1S/C32H56O2.2ClH.2Hg/c1-5-7-9-11-13-15-17-19-21-23-27-33-31-29(3)25-26-30(4)32(31)34-28-24-22-20-18-16-14-12-10-8-6-2;;;;/h5-24,27-28H2,1-4H3;2*1H;;/q;;;2*+1/p-2
InChIKey
SSQLFLVGBOQWGG-UHFFFAOYSA-L
Compound name
chloro-[2-(chloromercurio)-4,5-didodecoxy-3,6-dimethylphenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

946.307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 947.31428 321.9
[M+Na]+ 969.29622 321.2
[M-H]- 945.29972 318.4
[M+NH4]+ 964.34082 324.6
[M+K]+ 985.27016 309.1
[M+H-H2O]+ 929.30426 309.7
[M+HCOO]- 991.30520 324.5
[M+CH3COO]- 1005.3209 275.0
[M+Na-2H]- 967.28167 304.7
[M]+ 946.30645 338.5
[M]- 946.30755 338.5
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