CID 384175

6-bromo-3-chloroquinolin-8-ol

Structural Information

Molecular Formula
C9H5BrClNO
SMILES
C1=C2C=C(C=NC2=C(C=C1Br)O)Cl
InChI
InChI=1S/C9H5BrClNO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H
InChIKey
IYXNDLZQIYAJTB-UHFFFAOYSA-N
Compound name
6-bromo-3-chloroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.9243 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.93158 141.0
[M+Na]+ 279.91352 155.9
[M-H]- 255.91702 146.3
[M+NH4]+ 274.95812 162.2
[M+K]+ 295.88746 142.5
[M+H-H2O]+ 239.92156 142.1
[M+HCOO]- 301.92250 156.1
[M+CH3COO]- 315.93815 156.5
[M+Na-2H]- 277.89897 150.4
[M]+ 256.92375 161.5
[M]- 256.92485 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

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