CID 3022987

93940-64-8

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
CC1=C(C=CC=C1Cl)N=NC2=C3C=CC=NC3=C(C=C2)O
InChI
InChI=1S/C16H12ClN3O/c1-10-12(17)5-2-6-13(10)19-20-14-7-8-15(21)16-11(14)4-3-9-18-16/h2-9,21H,1H3
InChIKey
BKPOSIBVVXFIPZ-UHFFFAOYSA-N
Compound name
5-[(3-chloro-2-methylphenyl)diazenyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0669 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.074176 166.4
[M+Na]+ 320.056118 177.1
[M-H]- 296.059624 174.5
[M+NH4]+ 315.100723 182.7
[M+K]+ 336.030058 171.0
[M+H-H2O]+ 280.064160 157.8
[M+HCOO]- 342.065101 187.8
[M+CH3COO]- 356.080751 179.1
[M+Na-2H]- 318.041566 174.5
[M]+ 297.06635142 170.4
[M]- 297.06744858 170.4
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.