CID 46739627

3-fluoro-5-morpholinophenylboronic acid

Structural Information

Molecular Formula
C10H13BFNO3
SMILES
B(C1=CC(=CC(=C1)F)N2CCOCC2)(O)O
InChI
InChI=1S/C10H13BFNO3/c12-9-5-8(11(14)15)6-10(7-9)13-1-3-16-4-2-13/h5-7,14-15H,1-4H2
InChIKey
LZZMZSFQBPERPZ-UHFFFAOYSA-N
Compound name
(3-fluoro-5-morpholin-4-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.09724 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.10452 147.2
[M+Na]+ 248.08646 152.8
[M-H]- 224.08996 148.7
[M+NH4]+ 243.13106 161.0
[M+K]+ 264.06040 151.0
[M+H-H2O]+ 208.09450 138.9
[M+HCOO]- 270.09544 161.7
[M+CH3COO]- 284.11109 183.1
[M+Na-2H]- 246.07191 150.7
[M]+ 225.09669 141.7
[M]- 225.09779 141.7
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