CID 10192582

4-amino-3-fluorophenylboronic acid hydrochloride

Structural Information

Molecular Formula
C6H7BFNO2
SMILES
B(C1=CC(=C(C=C1)N)F)(O)O
InChI
InChI=1S/C6H7BFNO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H,9H2
InChIKey
GNHWAOAYJATKIL-UHFFFAOYSA-N
Compound name
(4-amino-3-fluorophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

155.05539 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06267 127.2
[M+Na]+ 178.04461 135.4
[M-H]- 154.04811 127.1
[M+NH4]+ 173.08921 146.6
[M+K]+ 194.01855 132.9
[M+H-H2O]+ 138.05265 121.3
[M+HCOO]- 200.05359 148.3
[M+CH3COO]- 214.06924 173.7
[M+Na-2H]- 176.03006 131.6
[M]+ 155.05484 122.6
[M]- 155.05594 122.6
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