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]+ 238.98146 140.2
[M+Na]+ 260.96340 153.2
[M-H]- 236.96690 144.0
[M+NH4]+ 256.00800 159.7
[M+K]+ 276.93734 141.5
[M+H-H2O]+ 220.97144 139.8
[M+HCOO]- 282.97238 158.5
[M+CH3COO]- 296.98803 154.9
[M+Na-2H]- 258.94885 150.7
[M]+ 237.97363 159.0
[M]- 237.97473 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.