CID 89825635

1454901-23-5

Structural Information

Molecular Formula
C12H16BFN2O3
SMILES
B(C1=C(C=C(C=C1)C(=O)N2CCN(CC2)C)F)(O)O
InChI
InChI=1S/C12H16BFN2O3/c1-15-4-6-16(7-5-15)12(17)9-2-3-10(13(18)19)11(14)8-9/h2-3,8,18-19H,4-7H2,1H3
InChIKey
RKKOTACNEFVADF-UHFFFAOYSA-N
Compound name
[2-fluoro-4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

266.1238 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13108 161.2
[M+Na]+ 289.11302 170.9
[M+NH4]+ 284.15762 166.3
[M+K]+ 305.08696 167.0
[M-H]- 265.11652 160.3
[M+Na-2H]- 287.09847 164.5
[M]+ 266.12325 161.8
[M]- 266.12435 161.8
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