CID 17750052

4-methoxy-3-(trifluoromethyl)benzeneboronic acid

Structural Information

Molecular Formula
C8H8BF3O3
SMILES
B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
InChI
InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(9(13)14)4-6(7)8(10,11)12/h2-4,13-14H,1H3
InChIKey
BUSMBMGODABSIN-UHFFFAOYSA-N
Compound name
[4-methoxy-3-(trifluoromethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

220.05186 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05914 139.9
[M+Na]+ 243.04108 148.6
[M-H]- 219.04458 137.6
[M+NH4]+ 238.08568 157.3
[M+K]+ 259.01502 146.3
[M+H-H2O]+ 203.04912 132.6
[M+HCOO]- 265.05006 156.4
[M+CH3COO]- 279.06571 182.8
[M+Na-2H]- 241.02653 143.7
[M]+ 220.05131 136.3
[M]- 220.05241 136.3
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