CID 44755209

4-cyano-2-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

165.03973 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04701 130.7
[M+Na]+ 188.02895 141.2
[M-H]- 164.03245 131.0
[M+NH4]+ 183.07355 148.3
[M+K]+ 204.00289 138.2
[M+H-H2O]+ 148.03699 118.7
[M+HCOO]- 210.03793 147.9
[M+CH3COO]- 224.05358 186.6
[M+Na-2H]- 186.01440 135.1
[M]+ 165.03918 123.4
[M]- 165.04028 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

literature stripe

Patent stripe

patents stripe