CID 53395669

1253911-22-6

Structural Information

Molecular Formula

C₇H₆BFN₂O₂

SMILES

B(C1=CC2=C(C=C1F)C=NN2)(O)O

InChI

InChI=1S/C7H6BFN2O2/c9-6-1-4-3-10-11-7(4)2-5(6)8(12)13/h1-3,12-13H,(H,10,11)

InChIKey

DLZXQAWSJNFDIC-UHFFFAOYSA-N

Compound name

(5-fluoro-1H-indazol-6-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 180.05063 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]+	181.05791	131.5
[M+Na]+	203.03985	142.1
[M-H]-	179.04335	129.2
[M+NH4]+	198.08445	150.0
[M+K]+	219.01379	137.8
[M+H-H2O]+	163.04789	124.8
[M+HCOO]-	225.04883	149.9
[M+CH3COO]-	239.06448	172.6
[M+Na-2H]-	201.02530	137.5
[M]+	180.05008	129.5
[M]-	180.05118	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe