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: 6
Patents: 202.09135 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.09863	141.8
[M+Na]+	225.08057	150.4
[M-H]-	201.08407	144.0
[M+NH4]+	220.12517	158.8
[M+K]+	241.05451	147.0
[M+H-H2O]+	185.08861	134.5
[M+HCOO]-	247.08955	162.0
[M+CH3COO]-	261.10520	179.8
[M+Na-2H]-	223.06602	145.6
[M]+	202.09080	141.0
[M]-	202.09190	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe