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]+ 298.07418 166.4
[M+Na]+ 320.05612 177.1
[M-H]- 296.05962 174.5
[M+NH4]+ 315.10072 182.7
[M+K]+ 336.03006 171.0
[M+H-H2O]+ 280.06416 157.8
[M+HCOO]- 342.06510 187.8
[M+CH3COO]- 356.08075 179.1
[M+Na-2H]- 318.04157 174.5
[M]+ 297.06635 170.4
[M]- 297.06745 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.