CID 2782894

850567-35-0

Structural Information

Molecular Formula
C13H11BFNO3
SMILES
B(C1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)F)(O)O
InChI
InChI=1S/C13H11BFNO3/c15-11-4-6-12(7-5-11)16-13(17)9-2-1-3-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChIKey
CKFWDDBBHPLQCY-UHFFFAOYSA-N
Compound name
[3-[(4-fluorophenyl)carbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

259.0816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08888 156.7
[M+Na]+ 282.07082 167.9
[M+NH4]+ 277.11542 163.1
[M+K]+ 298.04476 162.8
[M-H]- 258.07432 158.3
[M+Na-2H]- 280.05627 163.4
[M]+ 259.08105 158.4
[M]- 259.08215 158.4
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