CID 115681

Dtxsid10981972

Structural Information

Molecular Formula
C11H13HgO3
SMILES
C1=CC=C(C=C1)C(CC(C[Hg])O)C(=O)O
InChI
InChI=1S/C11H13O3.Hg/c1-8(12)7-10(11(13)14)9-5-3-2-4-6-9;/h2-6,8,10,12H,1,7H2,(H,13,14);
InChIKey
UXWVZSRKKPKZRY-UHFFFAOYSA-N
Compound name
(4-carboxy-2-hydroxy-4-phenylbutyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.0571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.064376 185.2
[M+Na]+ 418.046318 188.3
[M-H]- 394.049824 184.0
[M+NH4]+ 413.090923 200.1
[M+K]+ 434.020258 185.2
[M+H-H2O]+ 378.054360 177.3
[M+HCOO]- 440.055301 201.4
[M+CH3COO]- 454.070951 190.5
[M+Na-2H]- 416.031766 183.0
[M]+ 395.05655142 184.1
[M]- 395.05764858 184.1
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.