CID 44717207

850593-12-3

Structural Information

Molecular Formula
C10H12BF3O3
SMILES
B(C1=C(C=CC(=C1)C(F)(F)F)OC(C)C)(O)O
InChI
InChI=1S/C10H12BF3O3/c1-6(2)17-9-4-3-7(10(12,13)14)5-8(9)11(15)16/h3-6,15-16H,1-2H3
InChIKey
CHIZGUWFZKIYSO-UHFFFAOYSA-N
Compound name
[2-propan-2-yloxy-5-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

248.08316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09044 156.6
[M+Na]+ 271.07238 163.8
[M+NH4]+ 266.11698 160.6
[M+K]+ 287.04632 160.8
[M-H]- 247.07588 151.7
[M+Na-2H]- 269.05783 158.1
[M]+ 248.08261 155.8
[M]- 248.08371 155.8
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