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 135.3
[M+Na]+ 221.03919 144.6
[M-H]- 197.04269 135.8
[M+NH4]+ 216.08379 153.8
[M+K]+ 237.01313 142.7
[M+H-H2O]+ 181.04723 129.4
[M+HCOO]- 243.04817 156.0
[M+CH3COO]- 257.06382 180.0
[M+Na-2H]- 219.02464 138.9
[M]+ 198.04942 135.9
[M]- 198.05052 135.9
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