CID 86208030

2225181-67-7

Structural Information

Molecular Formula
C10H11BN2O2
SMILES
B(C1=CC=C(C=C1)N2C=C(C=N2)C)(O)O
InChI
InChI=1S/C10H11BN2O2/c1-8-6-12-13(7-8)10-4-2-9(3-5-10)11(14)15/h2-7,14-15H,1H3
InChIKey
INGCSWUCSJQHMV-UHFFFAOYSA-N
Compound name
[4-(4-methylpyrazol-1-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

202.09135 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.098626 141.8
[M+Na]+ 225.080568 150.4
[M-H]- 201.084074 144.0
[M+NH4]+ 220.125173 158.8
[M+K]+ 241.054508 147.0
[M+H-H2O]+ 185.088610 134.5
[M+HCOO]- 247.089551 162.0
[M+CH3COO]- 261.105201 179.8
[M+Na-2H]- 223.066016 145.6
[M]+ 202.09080142 141.0
[M]- 202.09189858 141.0
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

patents stripe