CID 21954814

3-amino-4-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
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

No literature data available for this compound.

Patent stripe

patents stripe