CID 6452411

Trinitrophloroglucinol, lead salt

Structural Information

Molecular Formula
C6H3N3O9
SMILES
C1=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C6H3N3O9/c10-2-1-3(11)5(8(14)15)6(18-9(16)17)4(2)7(12)13/h1,10-11H
InChIKey
FBRWMAISGZLTOL-UHFFFAOYSA-N
Compound name
(3,5-dihydroxy-2,6-dinitrophenyl) nitrate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.98694 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99422 147.0
[M+Na]+ 283.97616 153.2
[M+NH4]+ 279.02076 156.3
[M+K]+ 299.95010 163.8
[M-H]- 259.97966 144.0
[M+Na-2H]- 281.96161 147.1
[M]+ 260.98639 149.4
[M]- 260.98749 149.4
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.