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]+ 237.986206 141.4
[M+Na]+ 259.968148 154.0
[M-H]- 235.971654 146.4
[M+NH4]+ 255.012753 162.2
[M+K]+ 275.942088 142.2
[M+H-H2O]+ 219.976190 141.5
[M+HCOO]- 281.977131 160.6
[M+CH3COO]- 295.992781 156.4
[M+Na-2H]- 257.953596 151.3
[M]+ 236.97838142 160.0
[M]- 236.97947858 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.