CID 12373187

2,3-dicyano-1,4-dihydroxy-5-nitronaphthalene

Structural Information

Molecular Formula
C12H5N3O4
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=C(C(=C2O)C#N)C#N)O
InChI
InChI=1S/C12H5N3O4/c13-4-7-8(5-14)12(17)10-6(11(7)16)2-1-3-9(10)15(18)19/h1-3,16-17H
InChIKey
FFSZGCAJTTUCCU-UHFFFAOYSA-N
Compound name
1,4-dihydroxy-5-nitronaphthalene-2,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

255.028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03528 173.6
[M+Na]+ 278.01722 184.3
[M-H]- 254.02072 175.9
[M+NH4]+ 273.06182 184.0
[M+K]+ 293.99116 176.3
[M+H-H2O]+ 238.02526 162.0
[M+HCOO]- 300.02620 184.7
[M+CH3COO]- 314.04185 217.5
[M+Na-2H]- 276.00267 175.3
[M]+ 255.02745 164.6
[M]- 255.02855 164.6
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

patents stripe