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

25
Patents

248.08316 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09044 149.0
[M+Na]+ 271.07238 156.6
[M-H]- 247.07588 146.3
[M+NH4]+ 266.11698 165.1
[M+K]+ 287.04632 154.3
[M+H-H2O]+ 231.08042 141.4
[M+HCOO]- 293.08136 163.8
[M+CH3COO]- 307.09701 189.7
[M+Na-2H]- 269.05783 150.5
[M]+ 248.08261 145.5
[M]- 248.08371 145.5
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