CID 119085155

(8-bromoquinoxalin-5-yl)methanol

Structural Information

Molecular Formula
C9H7BrN2O
SMILES
C1=CC(=C2C(=C1CO)N=CC=N2)Br
InChI
InChI=1S/C9H7BrN2O/c10-7-2-1-6(5-13)8-9(7)12-4-3-11-8/h1-4,13H,5H2
InChIKey
VOBNFGUCEVEOGO-UHFFFAOYSA-N
Compound name
(8-bromoquinoxalin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97418 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.981456 140.2
[M+Na]+ 260.963398 153.2
[M-H]- 236.966904 144.0
[M+NH4]+ 256.008003 159.7
[M+K]+ 276.937338 141.5
[M+H-H2O]+ 220.971440 139.8
[M+HCOO]- 282.972381 158.5
[M+CH3COO]- 296.988031 154.9
[M+Na-2H]- 258.948846 150.7
[M]+ 237.97363142 159.0
[M]- 237.97472858 159.0
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.