CID 119094797

(8-bromoquinolin-5-yl)methanol

Structural Information

Molecular Formula
C10H8BrNO
SMILES
C1=CC2=C(C=CC(=C2N=C1)Br)CO
InChI
InChI=1S/C10H8BrNO/c11-9-4-3-7(6-13)8-2-1-5-12-10(8)9/h1-5,13H,6H2
InChIKey
CGVXFYVJMYTZQT-UHFFFAOYSA-N
Compound name
(8-bromoquinolin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 141.4
[M+Na]+ 259.96815 154.0
[M-H]- 235.97165 146.4
[M+NH4]+ 255.01275 162.2
[M+K]+ 275.94209 142.2
[M+H-H2O]+ 219.97619 141.5
[M+HCOO]- 281.97713 160.6
[M+CH3COO]- 295.99278 156.4
[M+Na-2H]- 257.95360 151.3
[M]+ 236.97838 160.0
[M]- 236.97948 160.0
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

No patent data available for this compound.