CID 74889568

3-ethoxy-4-(trifluoromethoxy)phenylboronic acid

Structural Information

Molecular Formula
C9H10BF3O4
SMILES
B(C1=CC(=C(C=C1)OC(F)(F)F)OCC)(O)O
InChI
InChI=1S/C9H10BF3O4/c1-2-16-8-5-6(10(14)15)3-4-7(8)17-9(11,12)13/h3-5,14-15H,2H2,1H3
InChIKey
XVWFHBKZHAXGDP-UHFFFAOYSA-N
Compound name
[3-ethoxy-4-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.06242 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.06970 147.5
[M+Na]+ 273.05164 155.7
[M-H]- 249.05514 144.9
[M+NH4]+ 268.09624 163.6
[M+K]+ 289.02558 153.7
[M+H-H2O]+ 233.05968 139.7
[M+HCOO]- 295.06062 163.9
[M+CH3COO]- 309.07627 187.9
[M+Na-2H]- 271.03709 150.9
[M]+ 250.06187 145.7
[M]- 250.06297 145.7
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