CID 53435584

Pyridazin-4-ylboronic acid

Structural Information

Molecular Formula
C4H5BN2O2
SMILES
B(C1=CN=NC=C1)(O)O
InChI
InChI=1S/C4H5BN2O2/c8-5(9)4-1-2-6-7-3-4/h1-3,8-9H
InChIKey
NQXJHSSQBZKCLJ-UHFFFAOYSA-N
Compound name
pyridazin-4-ylboronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

124.04441 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.051686 120.7
[M+Na]+ 147.033628 128.8
[M-H]- 123.037134 119.2
[M+NH4]+ 142.078233 138.7
[M+K]+ 163.007568 127.3
[M+H-H2O]+ 107.041670 114.3
[M+HCOO]- 169.042611 140.5
[M+CH3COO]- 183.058261 163.7
[M+Na-2H]- 145.019076 129.1
[M]+ 124.04386142 118.6
[M]- 124.04495858 118.6
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