CID 165985085

2287195-40-6

Structural Information

Molecular Formula
C9H9BN4O2
SMILES
B1(C2=C(CO1)C=CC(=C2)CC3=NNN=N3)O
InChI
InChI=1S/C9H9BN4O2/c15-10-8-3-6(1-2-7(8)5-16-10)4-9-11-13-14-12-9/h1-3,15H,4-5H2,(H,11,12,13,14)
InChIKey
QFLVELBCMXSVKP-UHFFFAOYSA-N
Compound name
5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)methyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.08185 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08913 143.5
[M+Na]+ 239.07107 153.1
[M-H]- 215.07457 144.7
[M+NH4]+ 234.11567 158.5
[M+K]+ 255.04501 150.1
[M+H-H2O]+ 199.07911 135.2
[M+HCOO]- 261.08005 160.5
[M+CH3COO]- 275.09570 155.4
[M+Na-2H]- 237.05652 148.0
[M]+ 216.08130 142.9
[M]- 216.08240 142.9
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

No patent data available for this compound.