CID 44558173

3-cyano-2-fluorobenzeneboronic acid

Structural Information

Molecular Formula
C7H5BFNO2
SMILES
B(C1=C(C(=CC=C1)C#N)F)(O)O
InChI
InChI=1S/C7H5BFNO2/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,11-12H
InChIKey
HENIWPFEWBREIB-UHFFFAOYSA-N
Compound name
(3-cyano-2-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

280
Patents

165.03973 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.047006 130.7
[M+Na]+ 188.028948 141.2
[M-H]- 164.032454 131.0
[M+NH4]+ 183.073553 148.3
[M+K]+ 204.002888 138.2
[M+H-H2O]+ 148.036990 118.7
[M+HCOO]- 210.037931 147.9
[M+CH3COO]- 224.053581 186.6
[M+Na-2H]- 186.014396 135.1
[M]+ 165.03918142 123.4
[M]- 165.04027858 123.4
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