CID 16218362

1072951-61-1

Structural Information

Molecular Formula
C9H11BF2O3
SMILES
B(C1=CC(=C(C=C1OC(C)C)F)F)(O)O
InChI
InChI=1S/C9H11BF2O3/c1-5(2)15-9-4-8(12)7(11)3-6(9)10(13)14/h3-5,13-14H,1-2H3
InChIKey
RTEYYHDTNPHABZ-UHFFFAOYSA-N
Compound name
(4,5-difluoro-2-propan-2-yloxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.07693 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08421 141.3
[M+Na]+ 239.06615 149.7
[M-H]- 215.06965 140.3
[M+NH4]+ 234.11075 159.0
[M+K]+ 255.04009 147.7
[M+H-H2O]+ 199.07419 134.5
[M+HCOO]- 261.07513 159.2
[M+CH3COO]- 275.09078 185.4
[M+Na-2H]- 237.05160 142.4
[M]+ 216.07638 139.7
[M]- 216.07748 139.7
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