CID 2760601

2-(trifluoromethoxy)phenylboronic acid, pinacol ester

Structural Information

Molecular Formula
C13H16BF3O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(F)(F)F
InChI
InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-7-5-6-8-10(9)18-13(15,16)17/h5-8H,1-4H3
InChIKey
MJVAGGBGGPTBIJ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.11447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12175 156.1
[M+Na]+ 311.10369 166.3
[M-H]- 287.10719 161.1
[M+NH4]+ 306.14829 175.6
[M+K]+ 327.07763 166.3
[M+H-H2O]+ 271.11173 149.8
[M+HCOO]- 333.11267 172.7
[M+CH3COO]- 347.12832 198.9
[M+Na-2H]- 309.08914 161.9
[M]+ 288.11392 156.7
[M]- 288.11502 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe