CID 16217881

2,6-difluoro-3-isopropoxyphenylboronic acid

Structural Information

Molecular Formula
C9H11BF2O3
SMILES
B(C1=C(C=CC(=C1F)OC(C)C)F)(O)O
InChI
InChI=1S/C9H11BF2O3/c1-5(2)15-7-4-3-6(11)8(9(7)12)10(13)14/h3-5,13-14H,1-2H3
InChIKey
YMUAZQJBMFLGEI-UHFFFAOYSA-N
Compound name
(2,6-difluoro-3-propan-2-yloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

216.07693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08421 146.6
[M+Na]+ 239.06615 156.1
[M+NH4]+ 234.11075 152.1
[M+K]+ 255.04009 152.3
[M-H]- 215.06965 143.9
[M+Na-2H]- 237.05160 149.3
[M]+ 216.07638 146.8
[M]- 216.07748 146.8
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