CID 44717531

874219-40-6

Structural Information

Molecular Formula
C11H13BFNO4
SMILES
B(C1=CC(=CC(=C1)F)C(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C11H13BFNO4/c13-10-6-8(5-9(7-10)12(16)17)11(15)14-1-3-18-4-2-14/h5-7,16-17H,1-4H2
InChIKey
JTGJWGMJQRLWIY-UHFFFAOYSA-N
Compound name
[3-fluoro-5-(morpholine-4-carbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

253.09216 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09944 156.3
[M+Na]+ 276.08138 166.0
[M+NH4]+ 271.12598 161.7
[M+K]+ 292.05532 162.7
[M-H]- 252.08488 157.1
[M+Na-2H]- 274.06683 159.6
[M]+ 253.09161 157.5
[M]- 253.09271 157.5
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