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 174.3
[M+Na]+ 283.97616 179.8
[M-H]- 259.97966 177.7
[M+NH4]+ 279.02076 178.2
[M+K]+ 299.95010 172.9
[M+H-H2O]+ 243.98420 153.7
[M+HCOO]- 305.98514 192.3
[M+CH3COO]- 320.00079 175.8
[M+Na-2H]- 281.96161 169.8
[M]+ 260.98639 164.2
[M]- 260.98749 164.2
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.