CID 45791109

[4-methoxy-2-(1h-pyrazol-1-yl)phenyl]boronic acid

Structural Information

Molecular Formula
C10H11BN2O3
SMILES
B(C1=C(C=C(C=C1)OC)N2C=CC=N2)(O)O
InChI
InChI=1S/C10H11BN2O3/c1-16-8-3-4-9(11(14)15)10(7-8)13-6-2-5-12-13/h2-7,14-15H,1H3
InChIKey
HNIWENQDOKNTLY-UHFFFAOYSA-N
Compound name
(4-methoxy-2-pyrazol-1-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

218.08627 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09355 144.6
[M+Na]+ 241.07549 153.0
[M-H]- 217.07899 146.8
[M+NH4]+ 236.12009 160.8
[M+K]+ 257.04943 150.2
[M+H-H2O]+ 201.08353 137.0
[M+HCOO]- 263.08447 164.9
[M+CH3COO]- 277.10012 181.9
[M+Na-2H]- 239.06094 148.5
[M]+ 218.08572 145.1
[M]- 218.08682 145.1
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