CID 116433

2-thiazolecarbamic acid, 4,5-bis(chloromercuri)-, benzyl ester

Structural Information

Molecular Formula
C11H8Cl2Hg2N2O2S
SMILES
C1=CC(=C(C=C1COC(=O)NC2=NC=CS2)[Hg]Cl)[Hg]Cl
InChI
InChI=1S/C11H8N2O2S.2ClH.2Hg/c14-11(13-10-12-6-7-16-10)15-8-9-4-2-1-3-5-9;;;;/h2,4-7H,8H2,(H,12,13,14);2*1H;;/q;;;2*+1/p-2
InChIKey
HBJCWYITUUVQNQ-UHFFFAOYSA-L
Compound name
chloro-[2-(chloromercurio)-4-(1,3-thiazol-2-ylcarbamoyloxymethyl)phenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

705.90967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 706.91695 228.7
[M+Na]+ 728.89889 239.6
[M+NH4]+ 723.94349 235.1
[M+K]+ 744.87283 228.5
[M-H]- 704.90239 230.9
[M+Na-2H]- 726.88434 231.0
[M]+ 705.90912 231.6
[M]- 705.91022 231.6
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.