CID 44717664

3-[(2-fluorophenyl)carbamoyl]benzeneboronic acid

Structural Information

Molecular Formula
C13H11BFNO3
SMILES
B(C1=CC(=CC=C1)C(=O)NC2=CC=CC=C2F)(O)O
InChI
InChI=1S/C13H11BFNO3/c15-11-6-1-2-7-12(11)16-13(17)9-4-3-5-10(8-9)14(18)19/h1-8,18-19H,(H,16,17)
InChIKey
WNFWVITXDBHCTD-UHFFFAOYSA-N
Compound name
[3-[(2-fluorophenyl)carbamoyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

259.0816 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08888 154.2
[M+Na]+ 282.07082 160.6
[M-H]- 258.07432 157.2
[M+NH4]+ 277.11542 169.0
[M+K]+ 298.04476 156.8
[M+H-H2O]+ 242.07886 146.2
[M+HCOO]- 304.07980 174.5
[M+CH3COO]- 318.09545 192.9
[M+Na-2H]- 280.05627 157.5
[M]+ 259.08105 150.8
[M]- 259.08215 150.8
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