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]+ 298.07418 166.0
[M+Na]+ 320.05612 175.9
[M-H]- 296.05962 175.0
[M+NH4]+ 315.10072 183.0
[M+K]+ 336.03006 169.8
[M+H-H2O]+ 280.06416 158.3
[M+HCOO]- 342.06510 189.2
[M+CH3COO]- 356.08075 178.6
[M+Na-2H]- 318.04157 173.4
[M]+ 297.06635 168.1
[M]- 297.06745 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.