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 168.7
[M+Na]+ 389.96606 175.8
[M-H]- 365.96956 173.0
[M+NH4]+ 385.01066 187.4
[M+K]+ 405.94000 170.3
[M+H-H2O]+ 349.97410 166.4
[M+HCOO]- 411.97504 191.4
[M+CH3COO]- 425.99069 180.4
[M+Na-2H]- 387.95151 174.3
[M]+ 366.97629 168.7
[M]- 366.97739 168.7
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.