CID 53427667

196083-20-2

Structural Information

Molecular Formula

C₇H₇BF₃NO₃

SMILES

B(C1=CN=C(C=C1)OCC(F)(F)F)(O)O

InChI

InChI=1S/C7H7BF3NO3/c9-7(10,11)4-15-6-2-1-5(3-12-6)8(13)14/h1-3,13-14H,4H2

InChIKey

OGBJEQPXZICXNY-UHFFFAOYSA-N

Compound name

[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 221.0471 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]+	222.05438	140.3
[M+Na]+	244.03632	148.4
[M-H]-	220.03982	136.2
[M+NH4]+	239.08092	155.9
[M+K]+	260.01026	146.1
[M+H-H2O]+	204.04436	131.8
[M+HCOO]-	266.04530	155.8
[M+CH3COO]-	280.06095	181.2
[M+Na-2H]-	242.02177	145.3
[M]+	221.04655	136.4
[M]-	221.04765	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe