CID 44717469

874289-09-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

237.09724 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10452 150.1
[M+Na]+ 260.08646 156.1
[M-H]- 236.08996 151.5
[M+NH4]+ 255.13106 166.6
[M+K]+ 276.06040 153.2
[M+H-H2O]+ 220.09450 142.6
[M+HCOO]- 282.09544 166.6
[M+CH3COO]- 296.11109 184.9
[M+Na-2H]- 258.07191 149.7
[M]+ 237.09669 145.1
[M]- 237.09779 145.1
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