CID 16217691

3-bromo-2-(2'-fluorobenzyloxy)-5-methylphenylboronic acid

Structural Information

Molecular Formula
C14H13BBrFO3
SMILES
B(C1=CC(=CC(=C1OCC2=CC=CC=C2F)Br)C)(O)O
InChI
InChI=1S/C14H13BBrFO3/c1-9-6-11(15(18)19)14(12(16)7-9)20-8-10-4-2-3-5-13(10)17/h2-7,18-19H,8H2,1H3
InChIKey
RJFAJIGWAZAOBQ-UHFFFAOYSA-N
Compound name
[3-bromo-2-[(2-fluorophenyl)methoxy]-5-methylphenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.0125 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01978 167.8
[M+Na]+ 361.00172 178.7
[M-H]- 337.00522 173.5
[M+NH4]+ 356.04632 184.1
[M+K]+ 376.97566 166.5
[M+H-H2O]+ 321.00976 166.0
[M+HCOO]- 383.01070 184.9
[M+CH3COO]- 397.02635 202.8
[M+Na-2H]- 358.98717 170.6
[M]+ 338.01195 186.1
[M]- 338.01305 186.1
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