CID 16683663

6314-27-8

Structural Information

Molecular Formula
C11H6HgO2
SMILES
C1=CC2=C3C(=C1)C(=O)O[Hg]C3=CC=C2
InChI
InChI=1S/C11H7O2.Hg/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-5,7H,(H,12,13);/q;+1/p-1
InChIKey
JITRLBOYWJTMBD-UHFFFAOYSA-M
Compound name
3-oxa-2-mercuratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.00742 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.01470 169.9
[M+Na]+ 394.99664 177.3
[M-H]- 371.00014 173.9
[M+NH4]+ 390.04124 188.7
[M+K]+ 410.97058 174.2
[M+H-H2O]+ 355.00468 161.6
[M+HCOO]- 417.00562 187.9
[M+CH3COO]- 431.02127 181.1
[M+Na-2H]- 392.98209 176.8
[M]+ 372.00687 170.7
[M]- 372.00797 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.