CID 55265949

1310705-09-9

Structural Information

Molecular Formula
C9H12BFO3
SMILES
B(C1=CC(=C(C=C1)C(C)(C)O)F)(O)O
InChI
InChI=1S/C9H12BFO3/c1-9(2,12)7-4-3-6(10(13)14)5-8(7)11/h3-5,12-14H,1-2H3
InChIKey
RQEIBRTWSPPZJC-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.08635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09363 139.5
[M+Na]+ 221.07557 147.3
[M-H]- 197.07907 138.4
[M+NH4]+ 216.12017 157.2
[M+K]+ 237.04951 144.7
[M+H-H2O]+ 181.08361 134.3
[M+HCOO]- 243.08455 156.4
[M+CH3COO]- 257.10020 178.4
[M+Na-2H]- 219.06102 143.5
[M]+ 198.08580 137.0
[M]- 198.08690 137.0
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