CID 16218361

1072951-73-5

Structural Information

Molecular Formula
C8H8BFO4
SMILES
B(C1=CC(=CC(=C1OC)C=O)F)(O)O
InChI
InChI=1S/C8H8BFO4/c1-14-8-5(4-11)2-6(10)3-7(8)9(12)13/h2-4,12-13H,1H3
InChIKey
NRUGZYHSZKKPJR-UHFFFAOYSA-N
Compound name
(5-fluoro-3-formyl-2-methoxyphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

198.04997 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.05725 139.3
[M+Na]+ 221.03919 150.1
[M+NH4]+ 216.08379 145.3
[M+K]+ 237.01313 146.2
[M-H]- 197.04269 137.7
[M+Na-2H]- 219.02464 143.1
[M]+ 198.04942 140.0
[M]- 198.05052 140.0
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