CID 2763242

3-carboxy-4-fluorophenylboronic acid

Structural Information

Molecular Formula
C7H6BFO4
SMILES
B(C1=CC(=C(C=C1)F)C(=O)O)(O)O
InChI
InChI=1S/C7H6BFO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChIKey
DGORTXQWDDXSIQ-UHFFFAOYSA-N
Compound name
5-borono-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04160 135.3
[M+Na]+ 207.02354 145.0
[M+NH4]+ 202.06814 140.9
[M+K]+ 222.99748 142.3
[M-H]- 183.02704 132.9
[M+Na-2H]- 205.00899 138.5
[M]+ 184.03377 135.5
[M]- 184.03487 135.5
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