CID 2763201

4-carboxy-3-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

663
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04160 132.1
[M+Na]+ 207.02354 140.2
[M-H]- 183.02704 131.0
[M+NH4]+ 202.06814 150.0
[M+K]+ 222.99748 138.0
[M+H-H2O]+ 167.03158 126.4
[M+HCOO]- 229.03252 150.6
[M+CH3COO]- 243.04817 174.2
[M+Na-2H]- 205.00899 135.1
[M]+ 184.03377 129.4
[M]- 184.03487 129.4
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