CID 106591

68109-78-4

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
C1=CC=C(C(=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)O)Cl
InChI
InChI=1S/C16H12ClN3O/c17-13-3-1-2-4-16(13)20-19-15-8-7-14(18)11-6-5-10(21)9-12(11)15/h1-9,21H,18H2
InChIKey
OGFORZWKZAWVGL-UHFFFAOYSA-N
Compound name
5-amino-8-[(2-chlorophenyl)diazenyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0669 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.074176 166.0
[M+Na]+ 320.056118 175.9
[M-H]- 296.059624 175.0
[M+NH4]+ 315.100723 183.0
[M+K]+ 336.030058 169.8
[M+H-H2O]+ 280.064160 158.3
[M+HCOO]- 342.065101 189.2
[M+CH3COO]- 356.080751 178.6
[M+Na-2H]- 318.041566 173.4
[M]+ 297.06635142 168.1
[M]- 297.06744858 168.1
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

No patent data available for this compound.