CID 165945282

(6-bromo-4-chloroquinolin-2-yl)methanol

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
C1=CC2=NC(=CC(=C2C=C1Br)Cl)CO
InChI
InChI=1S/C10H7BrClNO/c11-6-1-2-10-8(3-6)9(12)4-7(5-14)13-10/h1-4,14H,5H2
InChIKey
WVEHWSBDEXCYHZ-UHFFFAOYSA-N
Compound name
(6-bromo-4-chloroquinolin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.93994 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.94722 145.7
[M+Na]+ 293.92916 160.1
[M-H]- 269.93266 150.8
[M+NH4]+ 288.97376 166.4
[M+K]+ 309.90310 146.6
[M+H-H2O]+ 253.93720 146.6
[M+HCOO]- 315.93814 160.5
[M+CH3COO]- 329.95379 160.7
[M+Na-2H]- 291.91461 154.6
[M]+ 270.93939 166.5
[M]- 270.94049 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

No patent data available for this compound.