CID 22490042

355836-10-1

Structural Information

Molecular Formula

C₈H₈BF₃O₄

SMILES

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

InChI

InChI=1S/C8H8BF3O4/c1-15-7-4-5(16-8(10,11)12)2-3-6(7)9(13)14/h2-4,13-14H,1H3

InChIKey

AJCQJELUJDPGEY-UHFFFAOYSA-N

Compound name

[2-methoxy-4-(trifluoromethoxy)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 236.04677 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]+	237.05405	150.8
[M+Na]+	259.03599	158.4
[M+NH4]+	254.08059	154.8
[M+K]+	275.00993	155.5
[M-H]-	235.03949	145.7
[M+Na-2H]-	257.02144	152.8
[M]+	236.04622	150.0
[M]-	236.04732	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe