CID 16683869

Nsc637198

Structural Information

Molecular Formula
C15H18ClHg2NO7
SMILES
CC(=O)CNC1=C(C(=C(C(=C1[Hg]OC(=O)C)Cl)OC)[Hg]OC(=O)C)OC
InChI
InChI=1S/C11H12ClNO3.2C2H4O2.2Hg/c1-7(14)6-13-9-4-8(12)10(15-2)5-11(9)16-3;2*1-2(3)4;;/h13H,6H2,1-3H3;2*1H3,(H,3,4);;/q;;;2*+1/p-2
InChIKey
KJOAWFXSHYXYIH-UHFFFAOYSA-L
Compound name
acetyloxy-[4-(acetyloxymercurio)-2-chloro-3,5-dimethoxy-6-(2-oxopropylamino)phenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

763.0185 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.02578 255.8
[M+Na]+ 786.00772 260.5
[M-H]- 762.01122 256.9
[M+NH4]+ 781.05232 264.5
[M+K]+ 801.98166 257.2
[M+H-H2O]+ 746.01576 246.0
[M+HCOO]- 808.01670 269.1
[M+CH3COO]- 822.03235 238.2
[M+Na-2H]- 783.99317 246.0
[M]+ 763.01795 268.1
[M]- 763.01905 268.1
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

No patent data available for this compound.