CID 16683038

7-nitro-3h-2,1-benzoxamercurol-3-one

Structural Information

Molecular Formula
C7H3HgNO4
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])[Hg]OC2=O
InChI
InChI=1S/C7H4NO4.Hg/c9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-3H,(H,9,10);/q;+1/p-1
InChIKey
INGXLJQQXNHGNG-UHFFFAOYSA-M
Compound name
5-nitro-8-oxa-7-mercurabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.97684 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.98412 160.4
[M+Na]+ 389.96606 172.4
[M+NH4]+ 385.01066 168.2
[M+K]+ 405.94000 170.2
[M-H]- 365.96956 164.0
[M+Na-2H]- 387.95151 162.9
[M]+ 366.97629 162.8
[M]- 366.97739 162.8
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.