CID 44717590

871332-97-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

220.05186 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05914 148.1
[M+Na]+ 243.04108 156.1
[M+NH4]+ 238.08568 152.6
[M+K]+ 259.01502 152.8
[M-H]- 219.04458 143.5
[M+Na-2H]- 241.02653 150.5
[M]+ 220.05131 147.6
[M]- 220.05241 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe