CID 16217052

3-bromo-2-butoxy-5-fluorophenylboronic acid

Structural Information

Molecular Formula
C10H13BBrFO3
SMILES
B(C1=CC(=CC(=C1OCCCC)Br)F)(O)O
InChI
InChI=1S/C10H13BBrFO3/c1-2-3-4-16-10-8(11(14)15)5-7(13)6-9(10)12/h5-6,14-15H,2-4H2,1H3
InChIKey
DREJEOAXSCRYPA-UHFFFAOYSA-N
Compound name
(3-bromo-2-butoxy-5-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

290.0125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01978 155.6
[M+Na]+ 313.00172 166.4
[M-H]- 289.00522 158.1
[M+NH4]+ 308.04632 173.9
[M+K]+ 328.97566 154.8
[M+H-H2O]+ 273.00976 154.6
[M+HCOO]- 335.01070 172.6
[M+CH3COO]- 349.02635 194.4
[M+Na-2H]- 310.98717 158.7
[M]+ 290.01195 174.4
[M]- 290.01305 174.4
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