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]+ 257.93158 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.