CID 16217825

849052-20-6

Structural Information

Molecular Formula
C9H11BBrFO3
SMILES
B(C1=C(C=CC(=C1Br)OCCC)F)(O)O
InChI
InChI=1S/C9H11BBrFO3/c1-2-5-15-7-4-3-6(12)8(9(7)11)10(13)14/h3-4,13-14H,2,5H2,1H3
InChIKey
AIRJDYNENADRSB-UHFFFAOYSA-N
Compound name
(2-bromo-6-fluoro-3-propoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

275.99686 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00414 150.9
[M+Na]+ 298.98608 162.2
[M-H]- 274.98958 153.7
[M+NH4]+ 294.03068 169.8
[M+K]+ 314.96002 150.8
[M+H-H2O]+ 258.99412 150.1
[M+HCOO]- 320.99506 168.3
[M+CH3COO]- 335.01071 191.6
[M+Na-2H]- 296.97153 154.6
[M]+ 275.99631 169.4
[M]- 275.99741 169.4
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