CID 12373187

4655-62-3

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

27
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 176.6
[M+Na]+ 278.01722 186.0
[M+NH4]+ 273.06182 176.7
[M+K]+ 293.99116 177.6
[M-H]- 254.02072 167.2
[M+Na-2H]- 276.00267 174.7
[M]+ 255.02745 174.0
[M]- 255.02855 174.0
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