CID 72210963

1429874-11-2

Structural Information

Molecular Formula

C₇H₇BF₃NO₃

SMILES

B(C1=C(N=C(C=C1)C(F)(F)F)OC)(O)O

InChI

InChI=1S/C7H7BF3NO3/c1-15-6-4(8(13)14)2-3-5(12-6)7(9,10)11/h2-3,13-14H,1H3

InChIKey

RBIFHAWLTLCJFB-UHFFFAOYSA-N

Compound name

[2-methoxy-6-(trifluoromethyl)pyridin-3-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
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	140.0
[M+Na]+	244.03632	149.1
[M-H]-	220.03982	136.4
[M+NH4]+	239.08092	156.0
[M+K]+	260.01026	146.8
[M+H-H2O]+	204.04436	131.9
[M+HCOO]-	266.04530	155.6
[M+CH3COO]-	280.06095	182.4
[M+Na-2H]-	242.02177	144.4
[M]+	221.04655	136.6
[M]-	221.04765	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe