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

3
Patents

250.06242 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.069696 147.5
[M+Na]+ 273.051638 155.7
[M-H]- 249.055144 144.9
[M+NH4]+ 268.096243 163.6
[M+K]+ 289.025578 153.7
[M+H-H2O]+ 233.059680 139.7
[M+HCOO]- 295.060621 163.9
[M+CH3COO]- 309.076271 187.9
[M+Na-2H]- 271.037086 150.9
[M]+ 250.06187142 145.7
[M]- 250.06296858 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