CID 2777204

Refchem:462479

Structural Information

Molecular Formula
C7H6BF3O3
SMILES
B(C1=CC=CC=C1OC(F)(F)F)(O)O
InChI
InChI=1S/C7H6BF3O3/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H
InChIKey
AIJCNTOYZPKURP-UHFFFAOYSA-N
Compound name
[2-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1396
Patents

206.03621 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.043486 135.7
[M+Na]+ 229.025428 143.9
[M-H]- 205.028934 133.1
[M+NH4]+ 224.070033 153.3
[M+K]+ 244.999368 141.7
[M+H-H2O]+ 189.033470 128.3
[M+HCOO]- 251.034411 152.6
[M+CH3COO]- 265.050061 178.5
[M+Na-2H]- 227.010876 140.7
[M]+ 206.03566142 131.3
[M]- 206.03675858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe