CID 384174

Nsc673498

Structural Information

Molecular Formula
C9H5BrClNO
SMILES
C1=C2C=C(C=NC2=C(C=C1Cl)O)Br
InChI
InChI=1S/C9H5BrClNO/c10-6-1-5-2-7(11)3-8(13)9(5)12-4-6/h1-4,13H
InChIKey
UTZBNSLJVBNZRT-UHFFFAOYSA-N
Compound name
3-bromo-6-chloroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.9243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.931576 141.0
[M+Na]+ 279.913518 155.9
[M-H]- 255.917024 146.3
[M+NH4]+ 274.958123 162.2
[M+K]+ 295.887458 142.5
[M+H-H2O]+ 239.921560 142.1
[M+HCOO]- 301.922501 156.1
[M+CH3COO]- 315.938151 156.5
[M+Na-2H]- 277.898966 150.4
[M]+ 256.92375142 161.5
[M]- 256.92484858 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.