CID 135666394

2-naphthalenol, 1-[(2-hydroxy-3,5-dinitrophenyl)azo]-

Structural Information

Molecular Formula
C16H10N4O6
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)O
InChI
InChI=1S/C16H10N4O6/c21-14-6-5-9-3-1-2-4-11(9)15(14)18-17-12-7-10(19(23)24)8-13(16(12)22)20(25)26/h1-8,21-22H
InChIKey
XBGVXOHUFRWVIC-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-3,5-dinitrophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

354.06003 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06731 173.2
[M+Na]+ 377.04925 177.8
[M-H]- 353.05275 180.8
[M+NH4]+ 372.09385 183.5
[M+K]+ 393.02319 166.8
[M+H-H2O]+ 337.05729 172.4
[M+HCOO]- 399.05823 199.3
[M+CH3COO]- 413.07388 207.4
[M+Na-2H]- 375.03470 183.8
[M]+ 354.05948 171.0
[M]- 354.06058 171.0
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