CID 44717537

874219-31-5

Structural Information

Molecular Formula
C11H13BFNO3
SMILES
B(C1=CC(=C(C=C1)F)C(=O)N2CCCC2)(O)O
InChI
InChI=1S/C11H13BFNO3/c13-10-4-3-8(12(16)17)7-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
InChIKey
AOICJNUBSAKHMW-UHFFFAOYSA-N
Compound name
[4-fluoro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.09724 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10452 153.2
[M+Na]+ 260.08646 161.9
[M+NH4]+ 255.13106 159.1
[M+K]+ 276.06040 159.9
[M-H]- 236.08996 152.4
[M+Na-2H]- 258.07191 156.5
[M]+ 237.09669 153.7
[M]- 237.09779 153.7
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