CID 2763280

(2-fluoro-5-nitrophenyl)boronic acid

Structural Information

Molecular Formula
C6H5BFNO4
SMILES
B(C1=C(C=CC(=C1)[N+](=O)[O-])F)(O)O
InChI
InChI=1S/C6H5BFNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H
InChIKey
SYAFEPQKPQIRAL-UHFFFAOYSA-N
Compound name
(2-fluoro-5-nitrophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

203
Patents

185.02957 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03685 129.6
[M+Na]+ 208.01879 137.4
[M-H]- 184.02229 130.0
[M+NH4]+ 203.06339 147.4
[M+K]+ 223.99273 131.6
[M+H-H2O]+ 168.02683 128.4
[M+HCOO]- 230.02777 151.6
[M+CH3COO]- 244.04342 170.2
[M+Na-2H]- 206.00424 136.1
[M]+ 185.02902 125.8
[M]- 185.03012 125.8
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