CID 16217682

5-butoxy-2-fluorophenylboronic acid

Structural Information

Molecular Formula
C10H14BFO3
SMILES
B(C1=C(C=CC(=C1)OCCCC)F)(O)O
InChI
InChI=1S/C10H14BFO3/c1-2-3-6-15-8-4-5-10(12)9(7-8)11(13)14/h4-5,7,13-14H,2-3,6H2,1H3
InChIKey
GKZWJVVFPFQIDP-UHFFFAOYSA-N
Compound name
(5-butoxy-2-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

212.102 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10928 144.0
[M+Na]+ 235.09122 151.3
[M-H]- 211.09472 143.7
[M+NH4]+ 230.13582 161.7
[M+K]+ 251.06516 148.8
[M+H-H2O]+ 195.09926 137.5
[M+HCOO]- 257.10020 163.6
[M+CH3COO]- 271.11585 183.5
[M+Na-2H]- 233.07667 147.1
[M]+ 212.10145 144.1
[M]- 212.10255 144.1
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