CID 52705

Trans-chloro(2-(3-bromopropionamido)cyclohexyl)mercury

Structural Information

Molecular Formula
C9H15BrClHgNO
SMILES
C1CC[C@H]([C@@H](C1)NC(=O)CCBr)[Hg]Cl
InChI
InChI=1S/C9H15BrNO.ClH.Hg/c10-7-6-9(12)11-8-4-2-1-3-5-8;;/h4,8H,1-3,5-7H2,(H,11,12);1H;/q;;+1/p-1/t8-;;/m0../s1
InChIKey
UXTUXIGHACQRGQ-JZGIKJSDSA-M
Compound name
[(1R,2R)-2-(3-bromopropanoylamino)cyclohexyl]-chloromercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.9732 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.98048 192.9
[M+Na]+ 491.96242 199.7
[M-H]- 467.96592 196.3
[M+NH4]+ 487.00702 210.9
[M+K]+ 507.93636 185.8
[M+H-H2O]+ 451.97046 191.2
[M+HCOO]- 513.97140 204.3
[M+CH3COO]- 527.98705 203.1
[M+Na-2H]- 489.94787 192.6
[M]+ 468.97265 209.0
[M]- 468.97375 209.0
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.