CID 44150200

Lead(2+) 2,4-dinitroresorcinolate

Structural Information

Molecular Formula
C6H6N2O6
SMILES
C1=C(C(C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-])O
InChI
InChI=1S/C6H6N2O6/c9-4-2-1-3(7(11)12)6(10)5(4)8(13)14/h1-2,5-6,9-10H
InChIKey
XTXFTILKZNGSOF-UHFFFAOYSA-N
Compound name
2,6-dinitrocyclohexa-3,5-diene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.02258 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.02986 136.3
[M+Na]+ 225.01180 142.7
[M-H]- 201.01530 137.9
[M+NH4]+ 220.05640 151.9
[M+K]+ 240.98574 133.3
[M+H-H2O]+ 185.01984 140.0
[M+HCOO]- 247.02078 159.2
[M+CH3COO]- 261.03643 168.6
[M+Na-2H]- 222.99725 144.4
[M]+ 202.02203 131.4
[M]- 202.02313 131.4
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.