CID 46739511

5-methoxy-2-(trifluoromethoxy)phenylboronic acid

Structural Information

Molecular Formula
C8H8BF3O4
SMILES
B(C1=C(C=CC(=C1)OC)OC(F)(F)F)(O)O
InChI
InChI=1S/C8H8BF3O4/c1-15-5-2-3-7(16-8(10,11)12)6(4-5)9(13)14/h2-4,13-14H,1H3
InChIKey
KVMOUEZUHVCQSI-UHFFFAOYSA-N
Compound name
[5-methoxy-2-(trifluoromethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

236.04677 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.05405 142.8
[M+Na]+ 259.03599 151.3
[M-H]- 235.03949 140.4
[M+NH4]+ 254.08059 159.4
[M+K]+ 275.00993 149.6
[M+H-H2O]+ 219.04403 135.1
[M+HCOO]- 281.04497 159.5
[M+CH3COO]- 295.06062 184.9
[M+Na-2H]- 257.02144 146.6
[M]+ 236.04622 140.6
[M]- 236.04732 140.6
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