CID 45073596

Quinoxalin-6-ylboronic acid

Structural Information

Molecular Formula
C8H7BN2O2
SMILES
B(C1=CC2=NC=CN=C2C=C1)(O)O
InChI
InChI=1S/C8H7BN2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,12-13H
InChIKey
AWONZXSTLZEBCM-UHFFFAOYSA-N
Compound name
quinoxalin-6-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

174.06006 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.067336 132.8
[M+Na]+ 197.049278 141.6
[M-H]- 173.052784 132.3
[M+NH4]+ 192.093883 150.1
[M+K]+ 213.023218 138.3
[M+H-H2O]+ 157.057320 126.0
[M+HCOO]- 219.058261 151.2
[M+CH3COO]- 233.073911 145.3
[M+Na-2H]- 195.034726 141.9
[M]+ 174.05951142 131.5
[M]- 174.06060858 131.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe