CID 11802

Martius yellow

Structural Information

Molecular Formula
C10H6N2O5
SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H
InChIKey
FFRBMBIXVSCUFS-UHFFFAOYSA-N
Compound name
2,4-dinitronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

73185
Patents

234.02766 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03494 145.0
[M+Na]+ 257.01688 151.8
[M-H]- 233.02038 148.7
[M+NH4]+ 252.06148 160.8
[M+K]+ 272.99082 141.3
[M+H-H2O]+ 217.02492 147.7
[M+HCOO]- 279.02586 168.9
[M+CH3COO]- 293.04151 178.6
[M+Na-2H]- 255.00233 155.3
[M]+ 234.02711 142.1
[M]- 234.02821 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe