CID 3023742

5-(2-bromoethyl)quinolin-8-ol

Structural Information

Molecular Formula
C11H10BrNO
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CCBr
InChI
InChI=1S/C11H10BrNO/c12-6-5-8-3-4-10(14)11-9(8)2-1-7-13-11/h1-4,7,14H,5-6H2
InChIKey
QJLCMWNBAWWWHS-UHFFFAOYSA-N
Compound name
5-(2-bromoethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

250.99458 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.001856 146.1
[M+Na]+ 273.983798 158.2
[M-H]- 249.987304 150.9
[M+NH4]+ 269.028403 166.3
[M+K]+ 289.957738 146.2
[M+H-H2O]+ 233.991840 146.0
[M+HCOO]- 295.992781 164.9
[M+CH3COO]- 310.008431 189.2
[M+Na-2H]- 271.969246 155.4
[M]+ 250.99403142 165.0
[M]- 250.99512858 165.0
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

patents stripe