CID 24276140

(7-bromo-2-chloroquinolin-3-yl)methanol

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
C1=CC(=CC2=NC(=C(C=C21)CO)Cl)Br
InChI
InChI=1S/C10H7BrClNO/c11-8-2-1-6-3-7(5-14)10(12)13-9(6)4-8/h1-4,14H,5H2
InChIKey
OEPCFZZHNNREOQ-UHFFFAOYSA-N
Compound name
(7-bromo-2-chloroquinolin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

270.93994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.947216 145.7
[M+Na]+ 293.929158 160.1
[M-H]- 269.932664 150.8
[M+NH4]+ 288.973763 166.4
[M+K]+ 309.903098 146.6
[M+H-H2O]+ 253.937200 146.6
[M+HCOO]- 315.938141 160.5
[M+CH3COO]- 329.953791 160.7
[M+Na-2H]- 291.914606 154.6
[M]+ 270.93939142 166.5
[M]- 270.94048858 166.5
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

patents stripe