CID 46739511

1079402-25-7

Structural Information

Molecular Formula

C₈H₈BF₃O₄

SMILES

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

InChI

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

InChIKey

KVMOUEZUHVCQSI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
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

No literature data available for this compound.

Patent stripe

patents stripe