CID 2777204

2-(trifluoromethoxy)phenylboronic acid (contains varying amounts of anhydride)

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

1376
Patents

206.03621 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04349 135.7
[M+Na]+ 229.02543 143.9
[M-H]- 205.02893 133.1
[M+NH4]+ 224.07003 153.3
[M+K]+ 244.99937 141.7
[M+H-H2O]+ 189.03347 128.3
[M+HCOO]- 251.03441 152.6
[M+CH3COO]- 265.05006 178.5
[M+Na-2H]- 227.01088 140.7
[M]+ 206.03566 131.3
[M]- 206.03676 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