CID 16683761

102-98-7

Structural Information

Molecular Formula
C6H7BHgO3
SMILES
B(O)(O)O[Hg]C1=CC=CC=C1
InChI
InChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1
InChIKey
VUXSPDNLYQTOSY-UHFFFAOYSA-N
Compound name
boronooxy(phenyl)mercury
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

49
References

8964
Patents

340.01947 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02675 165.9
[M+Na]+ 363.00869 171.0
[M-H]- 339.01219 165.3
[M+NH4]+ 358.05329 183.4
[M+K]+ 378.98263 168.6
[M+H-H2O]+ 323.01673 158.6
[M+HCOO]- 385.01767 185.4
[M+CH3COO]- 399.03332 176.9
[M+Na-2H]- 360.99414 168.6
[M]+ 340.01892 165.4
[M]- 340.02002 165.4
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

patents stripe