CID 17998930

2-carboxy-5-fluorophenylboronic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

184.03432 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.041596 132.1
[M+Na]+ 207.023538 140.2
[M-H]- 183.027044 131.0
[M+NH4]+ 202.068143 150.0
[M+K]+ 222.997478 138.0
[M+H-H2O]+ 167.031580 126.4
[M+HCOO]- 229.032521 150.6
[M+CH3COO]- 243.048171 174.2
[M+Na-2H]- 205.008986 135.1
[M]+ 184.03377142 129.4
[M]- 184.03486858 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

No literature data available for this compound.

Patent stripe

patents stripe