CID 18981

1-[(2,4-dinitrophenyl)azo]-2-naphthol

Structural Information

Molecular Formula
C16H10N4O5
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H
InChIKey
HBHZKFOUIUMKHV-UHFFFAOYSA-N
Compound name
1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

9701
Patents

338.06512 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07240 171.2
[M+Na]+ 361.05434 175.8
[M-H]- 337.05784 179.8
[M+NH4]+ 356.09894 182.7
[M+K]+ 377.02828 164.8
[M+H-H2O]+ 321.06238 170.2
[M+HCOO]- 383.06332 198.7
[M+CH3COO]- 397.07897 206.7
[M+Na-2H]- 359.03979 182.3
[M]+ 338.06457 169.1
[M]- 338.06567 169.1
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